# generated using pymatgen data_Ta3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19595151 _cell_length_b 10.17438924 _cell_length_c 10.17438924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Si _chemical_formula_sum 'Ta24 Si8' _cell_volume 537.87552895 _cell_formula_units_Z 8 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 Ta Ta0 1 0.52416167 0.89602046 0.76861610 1.0 Ta Ta1 1 0.28127079 0.33596587 0.64953393 1.0 Ta Ta2 1 0.76447498 0.06292215 0.96360889 1.0 Ta Ta3 1 0.71872921 0.83596587 0.14953393 1.0 Ta Ta4 1 0.02416167 0.26861610 0.10397954 1.0 Ta Ta5 1 0.47583833 0.39602046 0.26861610 1.0 Ta Ta6 1 0.23552502 0.93707785 0.03639111 1.0 Ta Ta7 1 0.76447498 0.43707785 0.53639111 1.0 Ta Ta8 1 0.26447498 0.46360889 0.93707785 1.0 Ta Ta9 1 0.78127079 0.14953393 0.66403413 1.0 Ta Ta10 1 0.73552502 0.53639111 0.06292215 1.0 Ta Ta11 1 0.97583833 0.76861610 0.60397954 1.0 Ta Ta12 1 0.97583833 0.73138390 0.89602046 1.0 Ta Ta13 1 0.02416167 0.23138390 0.39602046 1.0 Ta Ta14 1 0.23552502 0.56292215 0.46360889 1.0 Ta Ta15 1 0.21872921 0.64953393 0.16403413 1.0 Ta Ta16 1 0.26447498 0.03639111 0.56292215 1.0 Ta Ta17 1 0.28127079 0.16403413 0.85046607 1.0 Ta Ta18 1 0.21872921 0.85046607 0.33596587 1.0 Ta Ta19 1 0.71872921 0.66403413 0.35046607 1.0 Ta Ta20 1 0.47583833 0.10397954 0.23138390 1.0 Ta Ta21 1 0.73552502 0.96360889 0.43707785 1.0 Ta Ta22 1 0.52416167 0.60397954 0.73138390 1.0 Ta Ta23 1 0.78127079 0.35046607 0.83596587 1.0 Si Si24 1 0.96923901 0.04497470 0.21978414 1.0 Si Si25 1 0.53076099 0.21978414 0.45502530 1.0 Si Si26 1 0.53076099 0.28021586 0.04497470 1.0 Si Si27 1 0.03076099 0.54497470 0.71978414 1.0 Si Si28 1 0.46923901 0.78021586 0.54497470 1.0 Si Si29 1 0.96923901 0.45502530 0.28021586 1.0 Si Si30 1 0.46923901 0.71978414 0.95502530 1.0 Si Si31 1 0.03076099 0.95502530 0.78021586 1.0