data_[La8Bi4Se2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2783]
_cell_length_b [4.3100]
_cell_length_c [8.8109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Bi2SeN2]
_chemical_formula_sum '[La8 Bi4 Se2 N4]'
_cell_volume [549.4036]
_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  0.0271  0.5000  0.7801  1.0
  La  La1  4  0.2214  0.0000  0.1342  1.0
  Bi  Bi2  4  0.1049  0.0000  0.5503  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1762  0.5000  0.9825  1.0
]