data_[Nd12Ga6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5622]
_cell_length_b [8.0858]
_cell_length_c [11.5570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Ga3N]
_chemical_formula_sum '[Nd12 Ga6 N2]'
_cell_volume [535.4854]
_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  4  0.0839  0.5491  0.7303  1.0
  Nd  Nd1  4  0.1831  0.2141  0.5622  1.0
  Nd  Nd2  4  0.3829  0.6507  0.5547  1.0
  Ga  Ga3  4  0.3199  0.6150  0.2418  1.0
  Ga  Ga4  2  0.5000  0.0000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]