data_[La24Cu8Br24]
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 [I4_132]
_cell_length_a [12.1952]
_cell_length_b [12.1952]
_cell_length_c [12.1952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [La3CuBr3]
_chemical_formula_sum '[La24 Cu8 Br24]'
_cell_volume [1813.7198]
_cell_formula_units_Z [8]
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  24  0.1153  0.3653  0.1250  1
  Cu  Cu1  8  0.1250  0.1250  0.1250  1
  Br  Br2  24  0.1174  0.1326  0.6250  1
]