# generated using pymatgen data_Ni5(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06705293 _cell_length_b 14.69445233 _cell_length_c 8.25232108 _cell_angle_alpha 81.14427291 _cell_angle_beta 90.24642075 _cell_angle_gamma 81.89085299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5(PO4)4 _chemical_formula_sum 'Ni10 P8 O32' _cell_volume 600.83984628 _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 Ni Ni0 1 0.50008100 0.49999300 0.50009700 1.0 Ni Ni1 1 0.00006600 0.99996900 0.99989500 1.0 Ni Ni2 1 0.44512400 0.20256300 0.47397500 1.0 Ni Ni3 1 0.94740300 0.70309200 0.97491900 1.0 Ni Ni4 1 0.05287800 0.29688700 0.02513300 1.0 Ni Ni5 1 0.55441800 0.79740200 0.52601400 1.0 Ni Ni6 1 0.98227000 0.11842600 0.64687700 1.0 Ni Ni7 1 0.48390200 0.61879200 0.14677600 1.0 Ni Ni8 1 0.51619300 0.38133300 0.85318600 1.0 Ni Ni9 1 0.01755600 0.88157100 0.35304700 1.0 P P10 1 0.03139100 0.34984400 0.62522600 1.0 P P11 1 0.53184100 0.85079300 0.12459900 1.0 P P12 1 0.46814300 0.14920500 0.87539000 1.0 P P13 1 0.96869200 0.65016700 0.37481800 1.0 P P14 1 0.03966600 0.10583300 0.31998400 1.0 P P15 1 0.54237900 0.60579100 0.82012200 1.0 P P16 1 0.45764700 0.39420800 0.17992000 1.0 P P17 1 0.96021100 0.89414500 0.67999900 1.0 O O18 1 0.44497900 0.48491900 0.25281300 1.0 O O19 1 0.94360900 0.98499900 0.75349900 1.0 O O20 1 0.05628600 0.01497900 0.24646700 1.0 O O21 1 0.55502400 0.51509800 0.74718900 1.0 O O22 1 0.89211800 0.33472600 0.79454600 1.0 O O23 1 0.39463400 0.83635800 0.29463300 1.0 O O24 1 0.60531300 0.16364800 0.70534100 1.0 O O25 1 0.10802300 0.66527700 0.20551400 1.0 O O26 1 0.70905000 0.37625600 0.07177400 1.0 O O27 1 0.21262300 0.87635800 0.57341200 1.0 O O28 1 0.78726400 0.12363200 0.42658100 1.0 O O29 1 0.29104200 0.62375700 0.92827700 1.0 O O30 1 0.24039500 0.40798200 0.03560600 1.0 O O31 1 0.74392000 0.90838700 0.53542100 1.0 O O32 1 0.25601400 0.09156300 0.46461900 1.0 O O33 1 0.75973400 0.59209100 0.96431400 1.0 O O34 1 0.06887500 0.18725200 0.18985500 1.0 O O35 1 0.56906300 0.68735300 0.68961500 1.0 O O36 1 0.43095000 0.31265700 0.31037700 1.0 O O37 1 0.93102200 0.81269300 0.81018600 1.0 O O38 1 0.20287300 0.10869600 0.85801400 1.0 O O39 1 0.70430300 0.60939900 0.35593800 1.0 O O40 1 0.29574500 0.39060600 0.64407500 1.0 O O41 1 0.79712400 0.89131000 0.14192600 1.0 O O42 1 0.09994300 0.25162800 0.57289200 1.0 O O43 1 0.60034400 0.75246800 0.07259100 1.0 O O44 1 0.39970100 0.24752000 0.92743700 1.0 O O45 1 0.89999600 0.74837900 0.42713200 1.0 O O46 1 0.84108000 0.41299300 0.49954600 1.0 O O47 1 0.33892000 0.91267300 0.99870500 1.0 O O48 1 0.66122600 0.08733700 0.00119700 1.0 O O49 1 0.15894500 0.58699200 0.50053300 1.0