data_[Mo6Pt1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7729]
_cell_length_b [5.0022]
_cell_length_c [5.3157]
_cell_angle_alpha [99.3870]
_cell_angle_beta [102.7467]
_cell_angle_gamma [99.5496]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mo6PtC]
_chemical_formula_sum '[Mo6 Pt1 C1]'
_cell_volume [119.4089]
_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
[
  Mo  Mo0  2  0.2092  0.0831  0.7195  1
  Mo  Mo1  2  0.2472  0.6772  0.0543  1
  Mo  Mo2  2  0.4026  0.2589  0.2954  1
  Pt  Pt3  1  0.0000  0.5000  0.5000  1
  C  C4  1  0.0000  0.0000  0.0000  1
]