data_[Cd2In8Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1329]
_cell_length_b [4.8749]
_cell_length_c [8.9092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdIn4Ga]
_chemical_formula_sum '[Cd2 In8 Ga2]'
_cell_volume [336.4032]
_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  0.5000  0.5000  1.0
  In  In1  4  0.1094  0.0000  0.3509  1.0
  In  In2  4  0.1148  0.5000  0.8679  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
]