data_[Ti8Pt2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2773]
_cell_length_b [7.7926]
_cell_length_c [5.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ti4PtC]
_chemical_formula_sum '[Ti8 Pt2 C2]'
_cell_volume [197.9956]
_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
[
  Ti  Ti0  4  0.0000  0.2039  0.2882  1
  Ti  Ti1  2  0.0000  0.0000  0.7502  1
  Ti  Ti2  2  0.0000  0.5000  0.9237  1
  Pt  Pt3  2  0.0000  0.5000  0.4859  1
  C  C4  2  0.0000  0.0000  0.0799  1
]