data_[Cd2Ga4Sn2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9662]
_cell_length_b [5.9662]
_cell_length_c [11.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [CdGa2SnAs4]
_chemical_formula_sum '[Cd2 Ga4 Sn2 As8]'
_cell_volume [425.8123]
_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  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.0000  0.5000  0.2500  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  As  As3  8  0.2500  0.2500  0.8658  1.0
]