data_[Ca3Cd2Cu2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5750]
_cell_length_b [4.5750]
_cell_length_c [15.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3Cd2(CuSb2)2]
_chemical_formula_sum '[Ca3 Cd2 Cu2 Sb4]'
_cell_volume [287.5960]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.2546  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.3333  0.6667  0.4388  1.0
  Cu  Cu3  2  0.3333  0.6667  0.8694  1.0
  Sb  Sb4  2  0.3333  0.6667  0.1268  1.0
  Sb  Sb5  2  0.3333  0.6667  0.6305  1.0
]