# generated using pymatgen data_HoNiBr18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04239690 _cell_length_b 9.04239722 _cell_length_c 9.04239796 _cell_angle_alpha 93.94663575 _cell_angle_beta 93.94662913 _cell_angle_gamma 93.94663264 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoNiBr18 _chemical_formula_sum 'Ho1 Ni1 Br18' _cell_volume 733.83585848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.50000000 0.50000000 0.50000000 1.0 Br Br2 1 0.69513784 0.96831474 0.02605070 1.0 Br Br3 1 0.72625206 0.13479256 0.59023526 1.0 Br Br4 1 0.02605070 0.69513784 0.96831474 1.0 Br Br5 1 0.27374794 0.86520744 0.40976474 1.0 Br Br6 1 0.13479256 0.59023526 0.72625206 1.0 Br Br7 1 0.03168526 0.97394930 0.30486216 1.0 Br Br8 1 0.59023526 0.72625206 0.13479256 1.0 Br Br9 1 0.97394930 0.30486216 0.03168526 1.0 Br Br10 1 0.86520744 0.40976474 0.27374794 1.0 Br Br11 1 0.40976474 0.27374794 0.86520744 1.0 Br Br12 1 0.96831474 0.02605070 0.69513784 1.0 Br Br13 1 0.30486216 0.03168526 0.97394930 1.0 Br Br14 1 0.77532659 0.53196132 0.50385446 1.0 Br Br15 1 0.49614554 0.22467341 0.46803868 1.0 Br Br16 1 0.46803868 0.49614554 0.22467341 1.0 Br Br17 1 0.50385446 0.77532659 0.53196132 1.0 Br Br18 1 0.53196132 0.50385446 0.77532659 1.0 Br Br19 1 0.22467341 0.46803868 0.49614554 1.0