data_[Nd6Bi2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5260]
_cell_length_b [11.7656]
_cell_length_c [6.5559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Nd3BiN2]
_chemical_formula_sum '[Nd6 Bi2 N4]'
_cell_volume [271.9727]
_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
[
  Nd  Nd0  2  0.0000  0.4102  0.7453  1
  Nd  Nd1  2  0.5000  0.1198  0.6012  1
  Nd  Nd2  2  0.5000  0.3390  0.2783  1
  Bi  Bi3  2  0.0000  0.1318  0.0364  1
  N  N4  2  0.0000  0.2524  0.5186  1
  N  N5  2  0.5000  0.4963  0.0215  1
]