data_[Li4Cr2O4]
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 [C2/m]
_cell_length_a [6.3251]
_cell_length_b [2.9321]
_cell_length_c [5.5159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CrO2]
_chemical_formula_sum '[Li4 Cr2 O4]'
_cell_volume [100.1664]
_cell_formula_units_Z [2]
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  0.1724  0.5000  0.6314  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1123  0.5000  0.2598  1.0
]