data_[La2Tl4Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8497]
_cell_length_b [8.4402]
_cell_length_c [13.5509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaTl2GaBr6]
_chemical_formula_sum '[La2 Tl4 Ga2 Br12]'
_cell_volume [752.9756]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2938  0.0819  0.2614  1
  Ga  Ga2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.1126  0.0463  0.7445  1
  Br  Br4  4  0.2471  0.7076  0.5696  1
  Br  Br5  4  0.3615  0.1841  0.5551  1
]