data_[Cd12Sb2As4]
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 [C2/m]
_cell_length_a [14.5114]
_cell_length_b [4.6318]
_cell_length_c [9.7156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6SbAs2]
_chemical_formula_sum '[Cd12 Sb2 As4]'
_cell_volume [500.5151]
_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  4  0.0809  0.0000  0.3887  1
  Cd  Cd1  4  0.1473  0.5000  0.2693  1
  Cd  Cd2  4  0.2420  0.0000  0.1036  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  As  As4  4  0.1501  0.0000  0.7322  1
]