data_[Ce2Tl4Ga2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  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 [7.5359]
_cell_length_b [8.0558]
_cell_length_c [13.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeTl2GaCl6]
_chemical_formula_sum '[Ce2 Tl4 Ga2 Cl12]'
_cell_volume [661.2602]
_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
  Tl  Tl1  4  0.2862  0.0724  0.2594  1
  Ga  Ga2  2  0.5000  0.0000  0.0000  1
  Cl  Cl3  4  0.1180  0.0456  0.7402  1
  Cl  Cl4  4  0.2451  0.7143  0.5670  1
  Cl  Cl5  4  0.3513  0.1824  0.5508  1
]