data_[Cr2In2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0528]
_cell_length_b [5.1764]
_cell_length_c [7.8058]
_cell_angle_alpha [101.3337]
_cell_angle_beta [93.4023]
_cell_angle_gamma [91.3142]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrInO2]
_chemical_formula_sum '[Cr2 In2 O4]'
_cell_volume [120.6602]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  1  0.5000  0.5000  0.5000  1.0
  In  In2  2  0.2149  0.7111  0.8759  1.0
  O  O3  2  0.0228  0.3827  0.6386  1.0
  O  O4  2  0.4890  0.1289  0.3626  1.0
]