data_[Cd2In2Ga8]
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 [Cm]
_cell_length_a [15.8647]
_cell_length_b [5.6520]
_cell_length_c [2.9235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdInGa4]
_chemical_formula_sum '[Cd2 In2 Ga8]'
_cell_volume [259.0217]
_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  0.2187  0.0000  0.7717  1.0
  In  In1  2  0.0370  0.0000  0.1417  1.0
  Ga  Ga2  4  0.3740  0.2510  0.4636  1.0
  Ga  Ga3  2  0.0417  0.5000  0.6341  1.0
  Ga  Ga4  2  0.2046  0.5000  0.2752  1.0
]