# generated using pymatgen data_HoThIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29974490 _cell_length_b 5.29974687 _cell_length_c 13.45386201 _cell_angle_alpha 78.64075977 _cell_angle_beta 78.64075486 _cell_angle_gamma 60.00000317 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoThIr7 _chemical_formula_sum 'Ho2 Th2 Ir14' _cell_volume 318.68015207 _cell_formula_units_Z 2 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 0.85175612 0.85175612 0.44473165 1.0 Ho Ho1 1 0.14824388 0.14824388 0.55526835 1.0 Th Th2 1 0.94882031 0.94882031 0.15353607 1.0 Th Th3 1 0.05117969 0.05117969 0.84646393 1.0 Ir Ir4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.72269811 0.72269811 0.83190667 1.0 Ir Ir6 1 0.27730189 0.27730189 0.16809333 1.0 Ir Ir7 1 0.61042831 0.61042831 0.16871707 1.0 Ir Ir8 1 0.38957169 0.38957169 0.83128293 1.0 Ir Ir9 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir11 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir12 1 0.38831891 0.38831891 0.33323945 1.0 Ir Ir13 1 0.89012273 0.38831891 0.33323945 1.0 Ir Ir14 1 0.38831891 0.89012273 0.33323945 1.0 Ir Ir15 1 0.61168109 0.61168109 0.66676055 1.0 Ir Ir16 1 0.10987727 0.61168109 0.66676055 1.0 Ir Ir17 1 0.61168109 0.10987727 0.66676055 1.0