data_[Cd1Co2Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8494]
_cell_length_b [2.8494]
_cell_length_c [6.7137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CdCo2Cu]
_chemical_formula_sum '[Cd1 Co2 Cu1]'
_cell_volume [54.5109]
_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
[
  Cd  Cd0  1  0.5000  0.5000  0.7544  1
  Co  Co1  1  0.0000  0.0000  0.0483  1
  Co  Co2  1  0.5000  0.5000  0.2343  1
  Cu  Cu3  1  0.0000  0.0000  0.4630  1
]