data_[Li12Cr4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.4593]
_cell_length_b [5.4593]
_cell_length_c [9.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [Li3CrO3]
_chemical_formula_sum '[Li12 Cr4 O12]'
_cell_volume [254.4542]
_cell_formula_units_Z [4]
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  12  0.0563  0.3761  0.9229  1
  Cr  Cr1  2  0.0000  0.0000  0.2500  1
  Cr  Cr2  2  0.3333  0.6667  0.2500  1
  O  O3  12  0.0442  0.3382  0.1317  1
]