data_[Zn1Cr1In2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [P1]
_cell_length_a [5.2947]
_cell_length_b [5.3748]
_cell_length_c [5.6351]
_cell_angle_alpha [117.8781]
_cell_angle_beta [90.6806]
_cell_angle_gamma [118.9950]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnCrIn2O6]
_chemical_formula_sum '[Zn1 Cr1 In2 O6]'
_cell_volume [117.9375]
_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
[
  Zn  Zn0  1  0.2835  0.5833  0.8963  1.0
  Cr  Cr1  1  0.8140  0.6306  0.4533  1.0
  In  In2  1  0.0305  0.0565  0.0868  1.0
  In  In3  1  0.5180  0.0500  0.5702  1.0
  O  O4  1  0.0908  0.7908  0.2450  1.0
  O  O5  1  0.1918  0.8130  0.7397  1.0
  O  O6  1  0.4639  0.5438  0.2513  1.0
  O  O7  1  0.6107  0.5460  0.7375  1.0
  O  O8  1  0.7349  0.1991  0.2736  1.0
  O  O9  1  0.9236  0.1101  0.7310  1.0
]