# generated using pymatgen data_ZrTa5(GaRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36770587 _cell_length_b 6.17470459 _cell_length_c 13.10262233 _cell_angle_alpha 90.00012194 _cell_angle_beta 89.99959185 _cell_angle_gamma 89.99731870 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa5(GaRu2)6 _chemical_formula_sum 'Zr1 Ta5 Ga6 Ru12' _cell_volume 353.36846656 _cell_formula_units_Z 1 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 Zr Zr0 1 0.50004943 0.50000103 0.83334739 1.0 Ta Ta1 1 0.99999636 0.99998366 0.00054706 1.0 Ta Ta2 1 0.49995272 0.50000946 0.16677188 1.0 Ta Ta3 1 0.99995433 0.99998943 0.33332142 1.0 Ta Ta4 1 0.50000266 0.50001325 0.49995085 1.0 Ta Ta5 1 0.00004471 0.00000581 0.66610650 1.0 Ga Ga6 1 0.99999466 0.49999262 0.99934317 1.0 Ga Ga7 1 0.49995204 0.99999225 0.16803737 1.0 Ga Ga8 1 0.99994492 0.50002127 0.33328214 1.0 Ga Ga9 1 0.50000055 0.99998746 0.49866739 1.0 Ga Ga10 1 0.00007265 0.50002615 0.66728993 1.0 Ga Ga11 1 0.50003627 0.99997565 0.83332853 1.0 Ru Ru12 1 0.49999291 0.24669173 0.00402350 1.0 Ru Ru13 1 0.49999467 0.75329058 0.00402499 1.0 Ru Ru14 1 0.99993927 0.25071025 0.16789982 1.0 Ru Ru15 1 0.99996738 0.74929117 0.16789716 1.0 Ru Ru16 1 0.49994124 0.24989830 0.33335456 1.0 Ru Ru17 1 0.49995455 0.75011431 0.33334917 1.0 Ru Ru18 1 0.99998984 0.25073603 0.49874450 1.0 Ru Ru19 1 0.00001469 0.74927203 0.49874161 1.0 Ru Ru20 1 0.50005530 0.24673333 0.66267324 1.0 Ru Ru21 1 0.50005321 0.75328141 0.66267150 1.0 Ru Ru22 1 0.00004304 0.24183404 0.83331084 1.0 Ru Ru23 1 0.00004459 0.75815677 0.83331846 1.0