data_[Cu2Pt6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2855]
_cell_length_b [10.1975]
_cell_length_c [3.0984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cu(PtN2)3]
_chemical_formula_sum '[Cu2 Pt6 N12]'
_cell_volume [230.1930]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Pt  Pt1  4  0.2500  0.2500  0.5000  1
  Pt  Pt2  2  0.0000  0.5000  0.0000  1
  N  N3  8  0.1717  0.3559  0.0000  1
  N  N4  4  0.0000  0.1280  0.5000  1
]