# generated using pymatgen data_Sm2Ta3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91122448 _cell_length_b 7.14144605 _cell_length_c 13.41117805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ta3Si4 _chemical_formula_sum 'Sm8 Ta12 Si16' _cell_volume 661.92393823 _cell_formula_units_Z 4 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 0.00419584 0.16954852 0.09662612 1.0 Sm Sm1 1 0.99580416 0.83045148 0.90337388 1.0 Sm Sm2 1 0.49580416 0.66954852 0.90337388 1.0 Sm Sm3 1 0.99580416 0.83045148 0.59662612 1.0 Sm Sm4 1 0.50419584 0.33045148 0.09662612 1.0 Sm Sm5 1 0.00419584 0.16954852 0.40337388 1.0 Sm Sm6 1 0.50419584 0.33045148 0.40337388 1.0 Sm Sm7 1 0.49580416 0.66954852 0.59662612 1.0 Ta Ta8 1 0.16120355 0.48686362 0.75000000 1.0 Ta Ta9 1 0.83879645 0.51313638 0.25000000 1.0 Ta Ta10 1 0.33879645 0.98686362 0.25000000 1.0 Ta Ta11 1 0.66120355 0.01313638 0.75000000 1.0 Ta Ta12 1 0.33719861 0.17669322 0.62641777 1.0 Ta Ta13 1 0.66280139 0.82330678 0.37358223 1.0 Ta Ta14 1 0.16280139 0.67669322 0.37358223 1.0 Ta Ta15 1 0.66280139 0.82330678 0.12641777 1.0 Ta Ta16 1 0.83719861 0.32330678 0.62641777 1.0 Ta Ta17 1 0.33719861 0.17669322 0.87358223 1.0 Ta Ta18 1 0.83719861 0.32330678 0.87358223 1.0 Ta Ta19 1 0.16280139 0.67669322 0.12641777 1.0 Si Si20 1 0.04093443 0.12512542 0.75000000 1.0 Si Si21 1 0.95906557 0.87487458 0.25000000 1.0 Si Si22 1 0.45906557 0.62512542 0.25000000 1.0 Si Si23 1 0.54093443 0.37487458 0.75000000 1.0 Si Si24 1 0.29750294 0.88132682 0.75000000 1.0 Si Si25 1 0.70249706 0.11867318 0.25000000 1.0 Si Si26 1 0.20249706 0.38132682 0.25000000 1.0 Si Si27 1 0.79750294 0.61867318 0.75000000 1.0 Si Si28 1 0.16000581 0.46177118 0.54197712 1.0 Si Si29 1 0.83999419 0.53822882 0.45802288 1.0 Si Si30 1 0.33999419 0.96177118 0.45802288 1.0 Si Si31 1 0.83999419 0.53822882 0.04197712 1.0 Si Si32 1 0.66000581 0.03822882 0.54197712 1.0 Si Si33 1 0.16000581 0.46177118 0.95802288 1.0 Si Si34 1 0.66000581 0.03822882 0.95802288 1.0 Si Si35 1 0.33999419 0.96177118 0.04197712 1.0