data_[La8Ni4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2580]
_cell_length_b [8.5746]
_cell_length_c [18.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La4Ni2Br5]
_chemical_formula_sum '[La8 Ni4 Br10]'
_cell_volume [688.2682]
_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  4  0.0000  0.2170  0.5000  1
  La  La1  4  0.0000  0.5000  0.1837  1
  Ni  Ni2  4  0.0000  0.5000  0.0586  1
  Br  Br3  8  0.0000  0.2701  0.3300  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]