data_[Sc12Pt6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2383]
_cell_length_b [6.9221]
_cell_length_c [10.5337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc6Pt3C]
_chemical_formula_sum '[Sc12 Pt6 C2]'
_cell_volume [390.5831]
_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
[
  Sc  Sc0  4  0.0955  0.5446  0.7352  1.0
  Sc  Sc1  4  0.2099  0.2023  0.5645  1.0
  Sc  Sc2  4  0.3574  0.6598  0.5524  1.0
  Pt  Pt3  4  0.3022  0.5984  0.2576  1.0
  Pt  Pt4  2  0.5000  0.0000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.0000  1.0
]