data_[La8In4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.8351]
_cell_length_b [4.1694]
_cell_length_c [9.0086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4In2Br5]
_chemical_formula_sum '[La8 In4 Br10]'
_cell_volume [941.0217]
_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  0.0136  0.0000  0.2682  1
  La  La1  4  0.1652  0.5000  0.4652  1
  In  In2  4  0.0580  0.5000  0.5645  1
  Br  Br3  4  0.1291  0.0000  0.2193  1
  Br  Br4  4  0.2318  0.0000  0.6742  1
  Br  Br5  2  0.0000  0.5000  0.0000  1
]