data_[Cd6Sb2As2]
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/m]
_cell_length_a [6.8301]
_cell_length_b [4.7381]
_cell_length_c [9.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd3SbAs]
_chemical_formula_sum '[Cd6 Sb2 As2]'
_cell_volume [303.4020]
_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  0.0081  0.7500  0.8580  1
  Cd  Cd1  2  0.0215  0.2500  0.6405  1
  Cd  Cd2  2  0.4931  0.7500  0.8239  1
  Sb  Sb3  2  0.2705  0.7500  0.1128  1
  As  As4  2  0.2173  0.7500  0.6136  1
]