data_[Ce2In2Ga4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3416]
_cell_length_b [8.1113]
_cell_length_c [12.8053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeIn(GaCl3)2]
_chemical_formula_sum '[Ce2 In2 Ga4 Cl12]'
_cell_volume [643.8982]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  In  In1  2  0.5000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.2790  0.0477  0.2602  1.0
  Cl  Cl3  4  0.0654  0.0740  0.7305  1.0
  Cl  Cl4  4  0.2271  0.7071  0.5871  1.0
  Cl  Cl5  4  0.3801  0.1566  0.5607  1.0
]