data_[Cd12Sb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8510]
_cell_length_b [7.0165]
_cell_length_c [9.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3SbAs]
_chemical_formula_sum '[Cd12 Sb4 As4]'
_cell_volume [570.0519]
_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
[
  Cd  Cd0  4  0.1275  0.5186  0.3989  1.0
  Cd  Cd1  4  0.1649  0.5186  0.8791  1.0
  Cd  Cd2  4  0.4674  0.1629  0.8134  1.0
  Sb  Sb3  4  0.1501  0.2257  0.6368  1.0
  As  As4  4  0.3922  0.7178  0.4098  1.0
]