data_[Co4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5405]
_cell_length_b [2.4910]
_cell_length_c [6.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoCu2]
_chemical_formula_sum '[Co4 Cu8]'
_cell_volume [139.7028]
_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
[
  Co  Co0  4  0.0263  0.0000  0.8193  1
  Cu  Cu1  4  0.1339  0.5000  0.5232  1
  Cu  Cu2  4  0.2004  0.5000  0.1457  1
]