data_[Cd4Ga4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5499]
_cell_length_b [3.9674]
_cell_length_c [14.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdGaCl3]
_chemical_formula_sum '[Cd4 Ga4 Cl12]'
_cell_volume [552.2044]
_cell_formula_units_Z [4]
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  4  0.1672  0.2500  0.0483  1.0
  Ga  Ga1  4  0.0104  0.2500  0.6712  1.0
  Cl  Cl2  4  0.0106  0.2500  0.8960  1.0
  Cl  Cl3  4  0.1689  0.2500  0.4922  1.0
  Cl  Cl4  4  0.2080  0.7500  0.7077  1.0
]