data_[Cd7In1Sn3]
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 [P3m1]
_cell_length_a [6.3481]
_cell_length_b [6.3481]
_cell_length_c [8.2163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cd7InSn3]
_chemical_formula_sum '[Cd7 In1 Sn3]'
_cell_volume [286.7452]
_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  3  0.3488  0.1744  0.1106  1.0
  Cd  Cd1  3  0.5078  0.0156  0.4515  1.0
  Cd  Cd2  1  0.3333  0.6667  0.1577  1.0
  In  In3  1  0.0000  0.0000  0.4149  1.0
  Sn  Sn4  3  0.1667  0.3333  0.7854  1.0
]