# generated using pymatgen data_TaCr2(SnRu2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42522082 _cell_length_b 6.27273985 _cell_length_c 13.25804351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00010238 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr2(SnRu2)3 _chemical_formula_sum 'Ta2 Cr4 Sn6 Ru12' _cell_volume 368.02020473 _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 0.00000662 0.00000000 0.66330882 1.0 Ta Ta1 1 0.50001315 0.50000100 0.83668481 1.0 Cr Cr2 1 0.99999999 0.00000000 0.00387772 1.0 Cr Cr3 1 0.49999115 0.50000100 0.16888452 1.0 Cr Cr4 1 0.99999070 0.00000000 0.33112981 1.0 Cr Cr5 1 0.50000074 0.50000100 0.49614464 1.0 Sn Sn6 1 0.00000136 0.50000100 0.00584976 1.0 Sn Sn7 1 0.49999197 0.00000000 0.16783457 1.0 Sn Sn8 1 0.99998808 0.50000100 0.33219964 1.0 Sn Sn9 1 0.50000311 0.00000000 0.49416083 1.0 Sn Sn10 1 0.00000920 0.50000100 0.66217805 1.0 Sn Sn11 1 0.50000819 0.00000000 0.83776449 1.0 Ru Ru12 1 0.50000066 0.25132612 0.00018137 1.0 Ru Ru13 1 0.50000066 0.74867388 0.00018137 1.0 Ru Ru14 1 0.99999163 0.24728139 0.16735949 1.0 Ru Ru15 1 0.99999163 0.75271961 0.16735949 1.0 Ru Ru16 1 0.49998643 0.25273670 0.33267687 1.0 Ru Ru17 1 0.49998643 0.74726330 0.33267687 1.0 Ru Ru18 1 0.00000156 0.24866451 0.49981260 1.0 Ru Ru19 1 0.00000156 0.75133649 0.49981260 1.0 Ru Ru20 1 0.50001010 0.24760158 0.66732727 1.0 Ru Ru21 1 0.50001010 0.75239842 0.66732727 1.0 Ru Ru22 1 0.00000849 0.25237523 0.83263457 1.0 Ru Ru23 1 0.00000849 0.74762577 0.83263457 1.0