data_[Li3Ni3P9O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [10.0955]
_cell_length_b [10.0955]
_cell_length_c [7.0013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiNi(PO3)3]
_chemical_formula_sum '[Li3 Ni3 P9 O27]'
_cell_volume [617.9642]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6389  1.0
  Ni  Ni1  3  0.0000  0.0000  0.0076  1.0
  P  P2  9  0.1055  0.7643  0.8526  1.0
  O  O3  9  0.0541  0.7048  0.0677  1.0
  O  O4  9  0.0713  0.8901  0.8074  1.0
  O  O5  9  0.1946  0.0688  0.1614  1.0
]