data_[La4Sm4I4Br8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8405]
_cell_length_b [4.0958]
_cell_length_c [11.9082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSmIBr2N]
_chemical_formula_sum '[La4 Sm4 I4 Br8 N4]'
_cell_volume [765.6018]
_cell_formula_units_Z [4]
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  0.1333  0.0000  0.2869  1
  Sm  Sm1  4  0.0760  0.5000  0.9623  1
  I  I2  4  0.0487  0.0000  0.7370  1
  Br  Br3  4  0.1693  0.5000  0.5134  1
  Br  Br4  4  0.2105  0.0000  0.1163  1
  N  N5  4  0.0705  0.5000  0.1519  1
]