data_[Ca8Cd4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6735]
_cell_length_b [17.6414]
_cell_length_c [7.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2CdSb2]
_chemical_formula_sum '[Ca8 Cd4 Sb8]'
_cell_volume [604.6258]
_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
[
  Ca  Ca0  4  0.0000  0.0225  0.7389  1.0
  Ca  Ca1  4  0.0000  0.1972  0.4235  1.0
  Cd  Cd2  4  0.0000  0.4003  0.5663  1.0
  Sb  Sb3  4  0.0000  0.1796  0.9464  1.0
  Sb  Sb4  4  0.0000  0.4328  0.9593  1.0
]