data_[La12Ag6N2]
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/c]
_cell_length_a [6.7224]
_cell_length_b [8.1886]
_cell_length_c [12.3376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ag3N]
_chemical_formula_sum '[La12 Ag6 N2]'
_cell_volume [583.6615]
_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  4  0.0791  0.5482  0.7250  1.0
  La  La1  4  0.1968  0.2255  0.5630  1.0
  La  La2  4  0.3732  0.6510  0.5517  1.0
  Ag  Ag3  4  0.3165  0.6040  0.2324  1.0
  Ag  Ag4  2  0.5000  0.0000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]