data_[La10Fe2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4153]
_cell_length_b [6.1192]
_cell_length_c [8.8967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5FeBr5]
_chemical_formula_sum '[La10 Fe2 Br10]'
_cell_volume [681.2483]
_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  0.1349  0.0000  0.2695  1
  La  La1  4  0.1689  0.0000  0.8620  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1491  0.5000  0.7924  1
  Br  Br5  4  0.1736  0.5000  0.3566  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]