data_[La12Ag2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.7976]
_cell_length_b [3.7085]
_cell_length_c [12.6097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6AgN3]
_chemical_formula_sum '[La12 Ag2 N6]'
_cell_volume [515.6894]
_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  0.0535  0.2500  0.7711  1.0
  La  La1  2  0.1332  0.7500  0.0811  1.0
  La  La2  2  0.1885  0.7500  0.5785  1.0
  La  La3  2  0.3381  0.7500  0.8822  1.0
  La  La4  2  0.3641  0.2500  0.4205  1.0
  La  La5  2  0.4529  0.2500  0.7132  1.0
  Ag  Ag6  2  0.3608  0.2500  0.0927  1.0
  N  N7  2  0.0012  0.7500  0.8896  1.0
  N  N8  2  0.2420  0.2500  0.7268  1.0
  N  N9  2  0.4063  0.7500  0.5573  1.0
]