data_[Cd3In2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7150]
_cell_length_b [5.7646]
_cell_length_c [5.7914]
_cell_angle_alpha [91.9781]
_cell_angle_beta [102.8287]
_cell_angle_gamma [102.6466]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd3(InSn)2]
_chemical_formula_sum '[Cd3 In2 Sn2]'
_cell_volume [180.8284]
_cell_formula_units_Z [1]
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  0.1342  0.2775  0.5678  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.4232  0.8522  0.7182  1.0
  Sn  Sn3  2  0.2867  0.5660  0.1473  1.0
]