data_[La4Cu2Br3]
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 [P-3m1]
_cell_length_a [4.2612]
_cell_length_b [4.2612]
_cell_length_c [18.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La4Cu2Br3]
_chemical_formula_sum '[La4 Cu2 Br3]'
_cell_volume [290.4805]
_cell_formula_units_Z [1]
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  0.2964  1
  La  La1  2  0.3333  0.6667  0.8881  1
  Cu  Cu2  2  0.3333  0.6667  0.2016  1
  Br  Br3  2  0.3333  0.6667  0.6009  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
]