data_[La12Bi8N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9190]
_cell_length_b [8.2727]
_cell_length_c [8.3953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Bi2N]
_chemical_formula_sum '[La12 Bi8 N4]'
_cell_volume [779.7940]
_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  8  0.1436  0.0370  0.9510  1
  La  La1  4  0.0000  0.3673  0.2500  1
  Bi  Bi2  8  0.1564  0.3156  0.6685  1
  N  N3  4  0.0000  0.0923  0.2500  1
]