data_[La8H4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8038]
_cell_length_b [4.1539]
_cell_length_c [9.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4H2Br5]
_chemical_formula_sum '[La8 H4 Br10]'
_cell_volume [651.5044]
_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  0.0005  0.0000  0.2640  1.0
  La  La1  4  0.1342  0.5000  0.5669  1.0
  H  H2  4  0.0001  0.5000  0.6217  1.0
  Br  Br3  4  0.1731  0.0000  0.8233  1.0
  Br  Br4  4  0.1770  0.0000  0.3451  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
]