# generated using pymatgen data_Ta12GaAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.33206875 _cell_length_b 10.22292828 _cell_length_c 5.21227793 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98951538 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12GaAs3 _chemical_formula_sum 'Ta24 Ga2 As6' _cell_volume 550.54162333 _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 Ta Ta0 1 0.90300005 0.58474926 0.02453791 1.0 Ta Ta1 1 0.09699995 0.41525074 0.02453791 1.0 Ta Ta2 1 0.91413881 0.40145590 0.52602748 1.0 Ta Ta3 1 0.08586119 0.59854410 0.52602748 1.0 Ta Ta4 1 0.59759311 0.91547573 0.47311958 1.0 Ta Ta5 1 0.40240689 0.08452427 0.47311958 1.0 Ta Ta6 1 0.58690688 0.09620397 0.97451458 1.0 Ta Ta7 1 0.41309312 0.90379603 0.97451458 1.0 Ta Ta8 1 0.85024967 0.01445434 0.72516790 1.0 Ta Ta9 1 0.14975033 0.98554566 0.72516790 1.0 Ta Ta10 1 0.48717982 0.35173454 0.22736994 1.0 Ta Ta11 1 0.51282018 0.64826546 0.22736994 1.0 Ta Ta12 1 0.64834022 0.48536674 0.77269574 1.0 Ta Ta13 1 0.35165978 0.51463326 0.77269574 1.0 Ta Ta14 1 0.01365624 0.15042797 0.27726626 1.0 Ta Ta15 1 0.98634376 0.84957203 0.27726626 1.0 Ta Ta16 1 0.28913395 0.19129024 0.98750768 1.0 Ta Ta17 1 0.71086605 0.80870976 0.98750768 1.0 Ta Ta18 1 0.31102282 0.78910910 0.48744289 1.0 Ta Ta19 1 0.68897718 0.21089090 0.48744289 1.0 Ta Ta20 1 0.21080463 0.30787028 0.50935039 1.0 Ta Ta21 1 0.78919537 0.69212972 0.50935039 1.0 Ta Ta22 1 0.19056006 0.71172360 0.01216845 1.0 Ta Ta23 1 0.80943994 0.28827640 0.01216845 1.0 Ga Ga24 1 0.79709528 0.02376302 0.22188014 1.0 Ga Ga25 1 0.20290472 0.97623698 0.22188014 1.0 As As26 1 0.47592708 0.29389290 0.72482000 1.0 As As27 1 0.52407292 0.70610710 0.72482000 1.0 As As28 1 0.70614740 0.47669989 0.27588793 1.0 As As29 1 0.29385260 0.52330011 0.27588793 1.0 As As30 1 0.02510405 0.20442908 0.78024513 1.0 As As31 1 0.97489595 0.79557092 0.78024513 1.0