data_[Li4Cr3Ni1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1054]
_cell_length_b [5.1289]
_cell_length_c [5.9200]
_cell_angle_alpha [73.0652]
_cell_angle_beta [89.9789]
_cell_angle_gamma [80.5543]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Cr3NiO8]
_chemical_formula_sum '[Li4 Cr3 Ni1 O8]'
_cell_volume [146.0975]
_cell_formula_units_Z [1]
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  2  0.2470  0.4956  0.6211  1
  Li  Li1  2  0.2513  0.4940  0.1300  1
  Cr  Cr2  2  0.0001  0.9998  0.2510  1
  Cr  Cr3  1  0.5000  0.0000  0.0000  1
  Ni  Ni4  1  0.5000  0.0000  0.5000  1
  O  O5  2  0.1197  0.2303  0.4417  1
  O  O6  2  0.1342  0.2256  0.9435  1
  O  O7  2  0.3722  0.7775  0.8225  1
  O  O8  2  0.3730  0.7737  0.2912  1
]