data_[La8Br10N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [18.4127]
_cell_length_b [3.9785]
_cell_length_c [8.4843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Br5N]
_chemical_formula_sum '[La8 Br10 N2]'
_cell_volume [602.8964]
_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  0.0016  0.0000  0.7950  1
  La  La1  4  0.1400  0.5000  0.0764  1
  Br  Br2  4  0.1651  0.0000  0.3517  1
  Br  Br3  4  0.1727  0.0000  0.8257  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.5000  0.0000  1
]