# generated using pymatgen data_Ta6V11Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74771021 _cell_length_b 8.74770911 _cell_length_c 8.17765626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999293 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6V11Ir _chemical_formula_sum 'Ta12 V22 Ir2' _cell_volume 541.93629035 _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 0.33510500 1.00000000 0.06060469 1.0 Ta Ta1 1 0.66489500 0.00000000 0.93939531 1.0 Ta Ta2 1 1.00000000 0.33510500 0.06060469 1.0 Ta Ta3 1 0.66489500 0.00000000 0.56060469 1.0 Ta Ta4 1 1.00000000 0.33510500 0.43939531 1.0 Ta Ta5 1 0.00000000 0.66489500 0.93939531 1.0 Ta Ta6 1 0.33510500 1.00000000 0.43939531 1.0 Ta Ta7 1 0.00000000 0.66489500 0.56060469 1.0 Ta Ta8 1 0.66489500 0.66489500 0.06060469 1.0 Ta Ta9 1 0.33510500 0.33510500 0.93939531 1.0 Ta Ta10 1 0.33510500 0.33510500 0.56060469 1.0 Ta Ta11 1 0.66489500 0.66489500 0.43939531 1.0 V V12 1 0.16345432 0.49653832 0.75000000 1.0 V V13 1 0.83654568 0.50346168 0.25000000 1.0 V V14 1 0.50346168 0.66691600 0.75000000 1.0 V V15 1 0.49653832 0.16345432 0.75000000 1.0 V V16 1 0.49653832 0.33308400 0.25000000 1.0 V V17 1 0.50346168 0.83654568 0.25000000 1.0 V V18 1 0.33308400 0.83654568 0.75000000 1.0 V V19 1 0.66691600 0.50346168 0.75000000 1.0 V V20 1 0.66691600 0.16345432 0.25000000 1.0 V V21 1 0.33308400 0.49653832 0.25000000 1.0 V V22 1 0.83654568 0.33308400 0.75000000 1.0 V V23 1 0.16345432 0.66691600 0.25000000 1.0 V V24 1 0.33333300 0.66666700 0.50000000 1.0 V V25 1 0.66666700 0.33333300 0.50000000 1.0 V V26 1 0.66666700 0.33333300 0.00000000 1.0 V V27 1 0.33333300 0.66666700 0.00000000 1.0 V V28 1 0.17017693 0.00000000 0.75000000 1.0 V V29 1 0.82982307 1.00000000 0.25000000 1.0 V V30 1 0.00000000 0.17017693 0.75000000 1.0 V V31 1 1.00000000 0.82982307 0.25000000 1.0 V V32 1 0.82982307 0.82982307 0.75000000 1.0 V V33 1 0.17017693 0.17017693 0.25000000 1.0 Ir Ir34 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0