data_[La4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0015]
_cell_length_b [12.6615]
_cell_length_c [6.9254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La(CuBr3)2]
_chemical_formula_sum '[La4 Cu8 Br24]'
_cell_volume [1297.7451]
_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
[
  La  La0  4  0.0000  0.1107  0.7500  1.0
  Cu  Cu1  8  0.1247  0.4318  0.7516  1.0
  Br  Br2  8  0.1119  0.0659  0.1275  1.0
  Br  Br3  8  0.1257  0.4070  0.0919  1.0
  Br  Br4  8  0.1296  0.2609  0.6194  1.0
]