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1 parent ccca75f commit 48d187dCopy full SHA for 48d187d
src/diffpy/structure/tests/testdata/Ni_ref.cif
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+data_2102245
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+_cell_length_a 3.562
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+_cell_length_b 3.562
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+_cell_length_c 3.562
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+_cell_angle_alpha 90.00000000
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+_cell_angle_beta 90.00000000
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+_cell_angle_gamma 90.00000000
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+_space_group_name_H-M_ref 'F m -3 m'
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+
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+loop_
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+_atom_site_label
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+_atom_site_type_symbol
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+_atom_site_fract_x
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+_atom_site_fract_y
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+_atom_site_fract_z
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+_atom_site_occupancy
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+_atom_site_adp_type
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+_atom_site_U_iso_or_equiv
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+Ni Ni 0.00000000 0.00000000 0.00000000 1.00000000 Uiso 0.025
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