data_[Cd2Ga2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0401]
_cell_length_b [4.4491]
_cell_length_c [8.5688]
_cell_angle_alpha [90.4093]
_cell_angle_beta [91.5871]
_cell_angle_gamma [109.2868]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdGaCu]
_chemical_formula_sum '[Cd2 Ga2 Cu2]'
_cell_volume [109.3349]
_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
[
  Cd  Cd0  2  0.3541  0.2060  0.6112  1.0
  Ga  Ga1  2  0.0488  0.6475  0.8249  1.0
  Cu  Cu2  2  0.3460  0.2083  0.9351  1.0
]