data_[Pt4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2104]
_cell_length_b [4.2104]
_cell_length_c [17.3754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [PtC3]
_chemical_formula_sum '[Pt4 C12]'
_cell_volume [266.7502]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.0000  1
  Pt  Pt1  2  0.3333  0.6667  0.2500  1
  C  C2  6  0.0000  0.5000  0.0000  1
  C  C3  6  0.1151  0.2302  0.7500  1
]