data_[La8Br10N4]
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 [Immm]
_cell_length_a [3.8656]
_cell_length_b [8.3735]
_cell_length_c [18.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La4Br5N2]
_chemical_formula_sum '[La8 Br10 N4]'
_cell_volume [584.4802]
_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  0.0000  0.2001  0.0000  1
  La  La1  4  0.0000  0.5000  0.3335  1
  Br  Br2  8  0.0000  0.2874  0.1653  1
  Br  Br3  2  0.0000  0.0000  0.5000  1
  N  N4  4  0.0000  0.5000  0.4618  1
]