# generated using pymatgen data_Sm3Ho2In3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31757258 _cell_length_b 9.31757328 _cell_length_c 6.74207081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000455 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ho2In3Br _chemical_formula_sum 'Sm6 Ho4 In6 Br2' _cell_volume 506.90844043 _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 Sm Sm0 1 0.73434457 0.73434457 0.25000000 1.0 Sm Sm1 1 0.00000000 0.73434457 0.75000000 1.0 Sm Sm2 1 0.73434457 0.00000000 0.75000000 1.0 Sm Sm3 1 0.26565543 0.26565543 0.75000000 1.0 Sm Sm4 1 1.00000000 0.26565543 0.25000000 1.0 Sm Sm5 1 0.26565543 1.00000000 0.25000000 1.0 Ho Ho6 1 0.33333300 0.66666700 0.50000000 1.0 Ho Ho7 1 0.66666700 0.33333300 0.50000000 1.0 Ho Ho8 1 0.33333300 0.66666700 0.00000000 1.0 Ho Ho9 1 0.66666700 0.33333300 0.00000000 1.0 In In10 1 0.39534338 0.00000000 0.75000000 1.0 In In11 1 1.00000000 0.60465662 0.25000000 1.0 In In12 1 0.60465662 1.00000000 0.25000000 1.0 In In13 1 0.00000000 0.39534338 0.75000000 1.0 In In14 1 0.39534338 0.39534338 0.25000000 1.0 In In15 1 0.60465662 0.60465662 0.75000000 1.0 Br Br16 1 0.00000000 0.00000000 0.50000000 1.0 Br Br17 1 0.00000000 0.00000000 0.00000000 1.0