data_[Li1Cr1In2O6]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.1617]
_cell_length_b [5.1617]
_cell_length_c [4.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LiCrIn2O6]
_chemical_formula_sum '[Li1 Cr1 In2 O6]'
_cell_volume [130.2907]
_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  1  0.5000  0.5000  0.5639  1
  Cr  Cr1  1  0.0000  0.0000  0.5943  1
  In  In2  2  0.0000  0.5000  0.9712  1
  O  O3  4  0.2354  0.2354  0.7319  1
  O  O4  1  0.0000  0.0000  0.2507  1
  O  O5  1  0.5000  0.5000  0.1677  1
]