data_[Cd2Ga4Sn2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.2160]
_cell_length_b [4.0390]
_cell_length_c [13.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdGa2Sn]
_chemical_formula_sum '[Cd2 Ga4 Sn2]'
_cell_volume [178.6513]
_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  0.2337  0.2500  0.4353  1
  Ga  Ga1  2  0.2526  0.2500  0.9502  1
  Ga  Ga2  2  0.2776  0.2500  0.6873  1
  Sn  Sn3  2  0.2030  0.2500  0.1839  1
]