data_[Cr8Cu2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9745]
_cell_length_b [9.0416]
_cell_length_c [5.7597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cr4CuO12]
_chemical_formula_sum '[Cr8 Cu2 O24]'
_cell_volume [489.3972]
_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  4  0.2029  0.5922  0.9827  1.0
  Cr  Cr1  4  0.2060  0.4046  0.4788  1.0
  Cu  Cu2  2  0.0000  0.0886  0.5000  1.0
  O  O3  4  0.1213  0.9174  0.4389  1.0
  O  O4  4  0.1255  0.0952  0.8901  1.0
  O  O5  4  0.1367  0.5053  0.1926  1.0
  O  O6  4  0.1444  0.2337  0.4498  1.0
  O  O7  4  0.1452  0.7582  0.9418  1.0
  O  O8  4  0.1462  0.5001  0.7002  1.0
]