data_[Nd12Ag2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.4809]
_cell_length_b [3.6480]
_cell_length_c [12.4407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6AgN3]
_chemical_formula_sum '[Nd12 Ag2 N6]'
_cell_volume [482.5328]
_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  0.0442  0.7500  0.7678  1
  Nd  Nd1  2  0.1364  0.2500  0.0763  1
  Nd  Nd2  2  0.1842  0.2500  0.5769  1
  Nd  Nd3  2  0.3363  0.2500  0.8819  1
  Nd  Nd4  2  0.3607  0.7500  0.4187  1
  Nd  Nd5  2  0.4550  0.7500  0.7124  1
  Ag  Ag6  2  0.3624  0.7500  0.0907  1
  N  N7  2  0.0071  0.7500  0.1198  1
  N  N8  2  0.2422  0.7500  0.7268  1
  N  N9  2  0.4063  0.2500  0.5599  1
]