# generated using pymatgen data_Rb6TaAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.74122451 _cell_length_b 10.74122391 _cell_length_c 8.60051144 _cell_angle_alpha 89.90711323 _cell_angle_beta 89.90710626 _cell_angle_gamma 119.90790932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb6TaAs4 _chemical_formula_sum 'Rb12 Ta2 As8' _cell_volume 860.12676200 _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 Rb Rb0 1 0.46551113 0.53271723 0.60699271 1.0 Rb Rb1 1 0.06423888 0.53193641 0.60857947 1.0 Rb Rb2 1 0.53271723 0.46551113 0.10699271 1.0 Rb Rb3 1 0.53193641 0.06423888 0.10857947 1.0 Rb Rb4 1 0.85648747 0.14412016 0.79028938 1.0 Rb Rb5 1 0.29266547 0.14656373 0.79272158 1.0 Rb Rb6 1 0.85528704 0.71031269 0.78765398 1.0 Rb Rb7 1 0.14412016 0.85648747 0.29028938 1.0 Rb Rb8 1 0.71031269 0.85528704 0.28765398 1.0 Rb Rb9 1 0.14656373 0.29266547 0.29272158 1.0 Rb Rb10 1 0.46658393 0.93429255 0.60688659 1.0 Rb Rb11 1 0.93429255 0.46658393 0.10688659 1.0 Ta Ta12 1 0.66557738 0.33326333 0.49926799 1.0 Ta Ta13 1 0.33326333 0.66557738 0.99926799 1.0 As As14 1 0.67017573 0.33358141 0.78677878 1.0 As As15 1 0.33358141 0.67017573 0.28677878 1.0 As As16 1 0.20573931 0.79352057 0.91058837 1.0 As As17 1 0.58771795 0.79297322 0.90775438 1.0 As As18 1 0.20560988 0.41112452 0.90968477 1.0 As As19 1 0.79352057 0.20573931 0.41058837 1.0 As As20 1 0.41112452 0.20560988 0.40968477 1.0 As As21 1 0.79297322 0.58771795 0.40775438 1.0