data_[Tl2Ag1N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5115]
_cell_length_b [19.2361]
_cell_length_c [6.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2AgN3]
_chemical_formula_sum '[Tl2 Ag1 N3]'
_cell_volume [438.2922]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  2  0.1971  0.3899  0.0413  1
  Ag  Ag1  1  0.5932  0.5000  0.8174  1
  N  N2  2  0.8353  0.4381  0.3422  1
  N  N3  1  0.8360  0.5000  0.3433  1
]