# generated using pymatgen data_Zr5Co(P2Ru3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.28489845 _cell_length_b 12.28489778 _cell_length_c 3.88345715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000182 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Co(P2Ru3)6 _chemical_formula_sum 'Zr5 Co1 P12 Ru18' _cell_volume 507.56569281 _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 0.33333300 0.66666700 0.00000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr2 1 0.18675682 0.00000000 0.50000000 1.0 Zr Zr3 1 0.00000000 0.18675682 0.50000000 1.0 Zr Zr4 1 0.81324318 0.81324318 0.50000000 1.0 Co Co5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.36997791 0.00000000 0.00000000 1.0 P P7 1 0.00000000 0.36997791 0.00000000 1.0 P P8 1 0.63002209 0.63002209 0.00000000 1.0 P P9 1 0.30658228 0.47791495 0.50000000 1.0 P P10 1 0.52208505 0.82866732 0.50000000 1.0 P P11 1 0.17133268 0.69341772 0.50000000 1.0 P P12 1 0.82866732 0.52208505 0.50000000 1.0 P P13 1 0.69341772 0.17133268 0.50000000 1.0 P P14 1 0.47791495 0.30658228 0.50000000 1.0 P P15 1 0.82796330 0.00000000 0.00000000 1.0 P P16 1 1.00000000 0.82796330 0.00000000 1.0 P P17 1 0.17203670 0.17203670 0.00000000 1.0 Ru Ru18 1 0.18866127 0.37163468 0.00000000 1.0 Ru Ru19 1 0.62836532 0.81702559 0.00000000 1.0 Ru Ru20 1 0.18297441 0.81133873 0.00000000 1.0 Ru Ru21 1 0.81702559 0.62836532 0.00000000 1.0 Ru Ru22 1 0.81133873 0.18297441 0.00000000 1.0 Ru Ru23 1 0.37163468 0.18866127 0.00000000 1.0 Ru Ru24 1 0.55644386 0.00000000 0.00000000 1.0 Ru Ru25 1 0.00000000 0.55644386 0.00000000 1.0 Ru Ru26 1 0.44355614 0.44355614 0.00000000 1.0 Ru Ru27 1 0.12843005 0.49370722 0.50000000 1.0 Ru Ru28 1 0.50629278 0.63472082 0.50000000 1.0 Ru Ru29 1 0.36527918 0.87156995 0.50000000 1.0 Ru Ru30 1 0.63472082 0.50629278 0.50000000 1.0 Ru Ru31 1 0.87156995 0.36527918 0.50000000 1.0 Ru Ru32 1 0.49370722 0.12843005 0.50000000 1.0 Ru Ru33 1 0.72361787 0.00000000 0.50000000 1.0 Ru Ru34 1 0.00000000 0.72361787 0.50000000 1.0 Ru Ru35 1 0.27638213 0.27638213 0.50000000 1.0