data_[Cr4Ga8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9641]
_cell_length_b [15.3744]
_cell_length_c [11.5491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CrGa2Cl5]
_chemical_formula_sum '[Cr4 Ga8 Cl20]'
_cell_volume [881.4293]
_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
[
  Cr  Cr0  4  0.0000  0.1888  0.2500  1
  Ga  Ga1  8  0.0000  0.1214  0.6183  1
  Cl  Cl2  8  0.0000  0.0796  0.1082  1
  Cl  Cl3  8  0.0000  0.2963  0.1027  1
  Cl  Cl4  4  0.0000  0.3016  0.7500  1
]