data_[Pt3I2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1228]
_cell_length_b [8.4712]
_cell_length_c [20.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0094]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pt3(IN)2]
_chemical_formula_sum '[Pt3 I2 N2]'
_cell_volume [703.0830]
_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
[
  Pt  Pt0  1  0.3875  0.0115  0.4169  1
  Pt  Pt1  1  0.3879  0.3426  0.4168  1
  Pt  Pt2  1  0.8875  0.5413  0.4317  1
  I  I3  1  0.3877  0.7195  0.4514  1
  I  I4  1  0.8876  0.1775  0.4584  1
  N  N5  1  0.6033  0.5546  0.6717  1
  N  N6  1  0.7558  0.6536  0.6530  1
]