# generated using pymatgen data_Ca2Ni7P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66932335 _cell_length_b 9.12472337 _cell_length_c 10.30836067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ni7P4 _chemical_formula_sum 'Ca4 Ni14 P8' _cell_volume 345.14000167 _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 Ca Ca0 1 -0.00000000 0.06107692 0.39435534 1.0 Ca Ca1 1 0.50000000 0.93892308 0.89435534 1.0 Ca Ca2 1 -0.00000000 0.43807880 0.17861110 1.0 Ca Ca3 1 0.50000000 0.56192120 0.67861110 1.0 Ni Ni4 1 0.00000000 0.06098816 0.70076396 1.0 Ni Ni5 1 0.50000000 0.93901184 0.20076396 1.0 Ni Ni6 1 -0.00000000 0.72892503 0.50745495 1.0 Ni Ni7 1 0.50000000 0.27107497 0.00745495 1.0 Ni Ni8 1 0.00000000 0.09389365 0.09456025 1.0 Ni Ni9 1 0.50000000 0.90610635 0.59456025 1.0 Ni Ni10 1 -0.00000000 0.74744831 0.27361101 1.0 Ni Ni11 1 0.50000000 0.25255169 0.77361101 1.0 Ni Ni12 1 0.00000000 0.30447659 0.60012986 1.0 Ni Ni13 1 0.50000000 0.69552341 0.10012986 1.0 Ni Ni14 1 0.00000000 0.68400973 0.91472822 1.0 Ni Ni15 1 0.50000000 0.31599027 0.41472822 1.0 Ni Ni16 1 -0.00000000 0.41570084 0.87410338 1.0 Ni Ni17 1 0.50000000 0.58429916 0.37410338 1.0 P P18 1 0.00000000 0.18139815 0.89169923 1.0 P P19 1 0.50000000 0.81860185 0.39169923 1.0 P P20 1 0.00000000 0.84231810 0.08432710 1.0 P P21 1 0.50000000 0.15768190 0.58432710 1.0 P P22 1 0.00000000 0.81393773 0.71027200 1.0 P P23 1 0.50000000 0.18606227 0.21027200 1.0 P P24 1 -0.00000000 0.47847006 0.45948160 1.0 P P25 1 0.50000000 0.52152994 0.95948160 1.0