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 [C2/m]
_cell_length_a [6.9920]
_cell_length_b [16.2745]
_cell_length_c [6.3351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3BiN]
_chemical_formula_sum '[La12 Bi4 N4]'
_cell_volume [625.9414]
_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  0.0000  0.1084  0.5000  1.0
  La  La1  4  0.0000  0.2539  0.0000  1.0
  La  La2  4  0.2149  0.5000  0.8548  1.0
  Bi  Bi3  4  0.0000  0.3270  0.5000  1.0
  N  N4  4  0.0109  0.0000  0.2553  1.0
]