data_[Li4Cr4O12]
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 [Cc]
_cell_length_a [5.6341]
_cell_length_b [9.8903]
_cell_length_c [5.1661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiCrO3]
_chemical_formula_sum '[Li4 Cr4 O12]'
_cell_volume [278.8782]
_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  4  0.4377  0.0793  0.8637  1.0
  Cr  Cr1  4  0.4754  0.4400  0.7632  1.0
  O  O2  4  0.1999  0.0124  0.0614  1.0
  O  O3  4  0.2601  0.4927  0.4512  1.0
  O  O4  4  0.4687  0.2773  0.7826  1.0
]