data_[Cr8Cu4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7718]
_cell_length_b [2.3727]
_cell_length_c [6.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2Cu]
_chemical_formula_sum '[Cr8 Cu4]'
_cell_volume [141.5214]
_cell_formula_units_Z [4]
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  2  0.1586  0.5000  0.3202  1
  Cr  Cr1  2  0.3314  0.0000  0.6515  1
  Cr  Cr2  2  0.3936  0.0000  0.2951  1
  Cr  Cr3  2  0.4932  0.5000  0.9929  1
  Cu  Cu4  2  0.0641  0.0000  0.6220  1
  Cu  Cu5  2  0.2257  0.5000  0.9515  1
]