# generated using pymatgen data_Ho7FeI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04799700 _cell_length_b 12.79580000 _cell_length_c 12.79580012 _cell_angle_alpha 119.99999969 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho7FeI12 _chemical_formula_sum 'Ho7 Fe1 I12' _cell_volume 1282.97434416 _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 0.21394200 0.47888800 0.93074700 1.0 Ho Ho1 1 0.59036400 0.78605800 0.73505400 1.0 Ho Ho2 1 0.52111200 0.59036400 0.19569400 1.0 Ho Ho3 1 0.40963600 0.21394200 0.26494600 1.0 Ho Ho4 1 0.00000000 0.00000000 0.00000000 1.0 Ho Ho5 1 0.47888800 0.40963600 0.80430600 1.0 Ho Ho6 1 0.78605800 0.52111200 0.06925300 1.0 Fe Fe7 1 0.50000000 0.50000000 0.00000000 1.0 I I8 1 0.33888100 0.03838200 0.07673200 1.0 I I9 1 0.27551800 0.82049800 0.60818300 1.0 I I10 1 0.11511300 0.33888100 0.69950100 1.0 I I11 1 0.72448200 0.17950200 0.39181700 1.0 I I12 1 0.82049800 0.42868100 0.84683700 1.0 I I13 1 0.96161800 0.88488700 0.77623300 1.0 I I14 1 0.42868100 0.27551800 0.54498000 1.0 I I15 1 0.88488700 0.66111900 0.30049900 1.0 I I16 1 0.17950200 0.57131900 0.15316300 1.0 I I17 1 0.57131900 0.72448200 0.45502000 1.0 I I18 1 0.03838200 0.11511300 0.22376700 1.0 I I19 1 0.66111900 0.96161800 0.92326800 1.0