data_[Tl2Pt2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5681]
_cell_length_b [4.8635]
_cell_length_c [7.6545]
_cell_angle_alpha [77.2618]
_cell_angle_beta [80.2164]
_cell_angle_gamma [71.4916]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlPtN]
_chemical_formula_sum '[Tl2 Pt2 N2]'
_cell_volume [156.3750]
_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
[
  Tl  Tl0  2  0.1424  0.1429  0.6331  1.0
  Pt  Pt1  2  0.4967  0.4851  0.3351  1.0
  N  N2  2  0.4974  0.4905  0.0762  1.0
]