# generated using pymatgen
data_Li4Ni(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30257270
_cell_length_b   7.30257270
_cell_length_c   13.92682037
_cell_angle_alpha   86.71082888
_cell_angle_beta   86.71082888
_cell_angle_gamma   64.01485990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ni(PO3)6
_chemical_formula_sum   'Li8 Ni2 P12 O36'
_cell_volume   666.07397509
_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
  Li  Li0  1  0.96138400  0.70096300  0.92379300  1
  Li  Li1  1  0.70096300  0.96138400  0.42379300  1
  Li  Li2  1  0.78351800  0.55791000  0.54684000  1
  Li  Li3  1  0.55791000  0.78351800  0.04684000  1
  Li  Li4  1  0.44209000  0.21648200  0.95316000  1
  Li  Li5  1  0.21648200  0.44209000  0.45316000  1
  Li  Li6  1  0.29903700  0.03861600  0.57620700  1
  Li  Li7  1  0.03861600  0.29903700  0.07620700  1
  Ni  Ni8  1  0.37029900  0.62970100  0.75000000  1
  Ni  Ni9  1  0.62970100  0.37029900  0.25000000  1
  P  P10  1  0.96552000  0.85164900  0.61509200  1
  P  P11  1  0.85164900  0.96552000  0.11509200  1
  P  P12  1  0.62845800  0.90412100  0.75245700  1
  P  P13  1  0.90412100  0.62845800  0.25245700  1
  P  P14  1  0.76799500  0.40145600  0.88832700  1
  P  P15  1  0.40145600  0.76799500  0.38832700  1
  P  P16  1  0.59854400  0.23200500  0.61167300  1
  P  P17  1  0.23200500  0.59854400  0.11167300  1
  P  P18  1  0.09587900  0.37154200  0.74754300  1
  P  P19  1  0.37154200  0.09587900  0.24754300  1
  P  P20  1  0.14835100  0.03448000  0.88490800  1
  P  P21  1  0.03448000  0.14835100  0.38490800  1
  O  O22  1  0.86458600  0.81260500  0.71492600  1
  O  O23  1  0.91673300  0.75351800  0.53445800  1
  O  O24  1  0.81260500  0.86458600  0.21492600  1
  O  O25  1  0.75351800  0.91673300  0.03445800  1
  O  O26  1  0.62913700  0.90061100  0.85927300  1
  O  O27  1  0.90061100  0.62913700  0.35927300  1
  O  O28  1  0.80986900  0.50409700  0.96964800  1
  O  O29  1  0.52033300  0.80528100  0.70085500  1
  O  O30  1  0.86225100  0.45200400  0.78828000  1
  O  O31  1  0.50409700  0.80986900  0.46964800  1
  O  O32  1  0.80528100  0.52033300  0.20085500  1
  O  O33  1  0.45200400  0.86225100  0.28828000  1
  O  O34  1  0.90210200  0.15609700  0.89957500  1
  O  O35  1  0.19338000  0.81845800  0.86531300  1
  O  O36  1  0.55448100  0.43665200  0.86891200  1
  O  O37  1  0.15609700  0.90210200  0.39957500  1
  O  O38  1  0.56334800  0.44551900  0.63108800  1
  O  O39  1  0.81845800  0.19338000  0.36531300  1
  O  O40  1  0.18154200  0.80662000  0.63468700  1
  O  O41  1  0.43665200  0.55448100  0.36891200  1
  O  O42  1  0.84390300  0.09789800  0.60042500  1
  O  O43  1  0.44551900  0.56334800  0.13108800  1
  O  O44  1  0.80662000  0.18154200  0.13468700  1
  O  O45  1  0.09789800  0.84390300  0.10042500  1
  O  O46  1  0.54799600  0.13774900  0.71172000  1
  O  O47  1  0.19471900  0.47966700  0.79914500  1
  O  O48  1  0.49590300  0.19013100  0.53035200  1
  O  O49  1  0.13774900  0.54799600  0.21172000  1
  O  O50  1  0.47966700  0.19471900  0.29914500  1
  O  O51  1  0.19013100  0.49590300  0.03035200  1
  O  O52  1  0.09938900  0.37086300  0.64072700  1
  O  O53  1  0.37086300  0.09938900  0.14072700  1
  O  O54  1  0.24648200  0.08326700  0.96554200  1
  O  O55  1  0.18739500  0.13541400  0.78507400  1
  O  O56  1  0.08326700  0.24648200  0.46554200  1
  O  O57  1  0.13541400  0.18739500  0.28507400  1
