# generated using pymatgen data_SrCu6Ni3P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68157229 _cell_length_b 6.68159649 _cell_length_c 10.71389594 _cell_angle_alpha 89.99987694 _cell_angle_beta 90.00019336 _cell_angle_gamma 119.99453465 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCu6Ni3P5 _chemical_formula_sum 'Sr2 Cu12 Ni6 P10' _cell_volume 414.24844503 _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 Sr Sr0 1 0.00000756 0.00000803 0.00001911 1.0 Sr Sr1 1 0.00000718 0.00000688 0.49998115 1.0 Cu Cu2 1 0.53782372 0.07562638 0.10617800 1.0 Cu Cu3 1 0.46215566 0.92437708 0.60615246 1.0 Cu Cu4 1 0.92438269 0.46220635 0.10617959 1.0 Cu Cu5 1 0.53783939 0.46221567 0.10617006 1.0 Cu Cu6 1 0.46214530 0.53776955 0.60615643 1.0 Cu Cu7 1 0.07561176 0.53779413 0.60615140 1.0 Cu Cu8 1 0.46216196 0.92437402 0.89385122 1.0 Cu Cu9 1 0.46215652 0.53778163 0.89384541 1.0 Cu Cu10 1 0.07561689 0.53780350 0.89384966 1.0 Cu Cu11 1 0.92438674 0.46220133 0.39381862 1.0 Cu Cu12 1 0.53784667 0.46222244 0.39382867 1.0 Cu Cu13 1 0.53783226 0.07561970 0.39381817 1.0 Ni Ni14 1 0.20226737 0.40457051 0.24999879 1.0 Ni Ni15 1 0.79772451 0.59542258 0.74999650 1.0 Ni Ni16 1 0.59549124 0.79778002 0.24999093 1.0 Ni Ni17 1 0.20225947 0.79776218 0.24999767 1.0 Ni Ni18 1 0.79771758 0.20224531 0.75000470 1.0 Ni Ni19 1 0.40451021 0.20221868 0.75000916 1.0 P P20 1 0.33332959 0.66668799 0.07190317 1.0 P P21 1 0.66666582 0.33331672 0.57188466 1.0 P P22 1 0.66666702 0.33331861 0.92811543 1.0 P P23 1 0.33332970 0.66668603 0.42809676 1.0 P P24 1 0.83957646 0.67920277 0.24999952 1.0 P P25 1 0.16040333 0.32078409 0.75000361 1.0 P P26 1 0.32079369 0.16043716 0.25000131 1.0 P P27 1 0.83960524 0.16043501 0.24999761 1.0 P P28 1 0.16038201 0.83955759 0.75000029 1.0 P P29 1 0.67919847 0.83956604 0.74999895 1.0