data_[La6Bi2N2]
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 [P-1]
_cell_length_a [6.9536]
_cell_length_b [6.9588]
_cell_length_c [7.1116]
_cell_angle_alpha [87.2695]
_cell_angle_beta [63.7267]
_cell_angle_gamma [81.3489]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3BiN]
_chemical_formula_sum '[La6 Bi2 N2]'
_cell_volume [304.9916]
_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  2  0.2374  0.9491  0.5698  1.0
  La  La1  2  0.2623  0.2581  0.9736  1.0
  La  La2  2  0.3051  0.4583  0.4278  1.0
  Bi  Bi3  2  0.2330  0.7587  0.0479  1.0
  N  N4  2  0.4125  0.2176  0.6138  1.0
]