data_[Li6Ni6P6O24]
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 [R-3]
_cell_length_a [4.8450]
_cell_length_b [4.8450]
_cell_length_c [23.4379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiNiPO4]
_chemical_formula_sum '[Li6 Ni6 P6 O24]'
_cell_volume [476.4640]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.2173  1.0
  Ni  Ni1  6  0.0000  0.0000  0.3387  1.0
  P  P2  6  0.0000  0.0000  0.0752  1.0
  O  O3  18  0.0169  0.3694  0.6143  1.0
  O  O4  6  0.0000  0.0000  0.1391  1.0
]