data_[Zn2Cr4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0210]
_cell_length_b [3.6149]
_cell_length_c [6.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnCr2O6]
_chemical_formula_sum '[Zn2 Cr4 O12]'
_cell_volume [238.2727]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.0000  1
  Cr  Cr1  4  0.2452  0.0000  0.6793  1
  O  O2  4  0.1017  0.0000  0.7592  1
  O  O3  4  0.1131  0.5000  0.1254  1
  O  O4  4  0.2286  0.0000  0.3869  1
]