# generated using pymatgen data_SmTm3SiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00694872 _cell_length_b 13.16387722 _cell_length_c 13.84628808 _cell_angle_alpha 90.93278075 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTm3SiBr6 _chemical_formula_sum 'Sm2 Tm6 Si2 Br12' _cell_volume 730.25310918 _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 0.00000000 0.62146694 0.91840302 1.0 Sm Sm1 1 0.00000000 0.37853306 0.08159698 1.0 Tm Tm2 1 0.50000000 0.11621022 0.34376099 1.0 Tm Tm3 1 0.50000000 0.88378978 0.65623901 1.0 Tm Tm4 1 0.50000000 0.61890205 0.15889459 1.0 Tm Tm5 1 0.50000000 0.38109795 0.84110541 1.0 Tm Tm6 1 0.00000000 0.11591912 0.57836563 1.0 Tm Tm7 1 0.00000000 0.88408088 0.42163437 1.0 Si Si8 1 0.50000000 0.00000000 0.50000000 1.0 Si Si9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.23630719 0.17102141 1.0 Br Br11 1 0.50000000 0.76369281 0.82897859 1.0 Br Br12 1 0.50000000 0.74987983 0.33632176 1.0 Br Br13 1 0.50000000 0.25012017 0.66367824 1.0 Br Br14 1 0.00000000 0.25200589 0.41382001 1.0 Br Br15 1 0.00000000 0.74799411 0.58617999 1.0 Br Br16 1 0.00000000 0.75595709 0.09686662 1.0 Br Br17 1 0.00000000 0.24404291 0.90313338 1.0 Br Br18 1 0.00000000 0.00112745 0.24565964 1.0 Br Br19 1 0.00000000 0.99887255 0.75434036 1.0 Br Br20 1 0.00000000 0.51184754 0.26150237 1.0 Br Br21 1 0.00000000 0.48815246 0.73849763 1.0