data_[La12Bi4N4]
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 [P2_1/c]
_cell_length_a [8.9781]
_cell_length_b [6.9148]
_cell_length_c [11.4013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3BiN]
_chemical_formula_sum '[La12 Bi4 N4]'
_cell_volume [566.7436]
_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  0.0308  0.0165  0.7665  1
  La  La1  4  0.3006  0.2322  0.1603  1
  La  La2  4  0.4447  0.7133  0.9602  1
  Bi  Bi3  4  0.1882  0.7386  0.0890  1
  N  N4  4  0.2445  0.1863  0.3314  1
]