data_[Mo12Pt4C4]
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 [C2/m]
_cell_length_a [10.7899]
_cell_length_b [2.9389]
_cell_length_c [9.1796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mo3PtC]
_chemical_formula_sum '[Mo12 Pt4 C4]'
_cell_volume [278.4092]
_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
[
  Mo  Mo0  4  0.0857  0.0000  0.1445  1.0
  Mo  Mo1  4  0.1534  0.5000  0.8933  1.0
  Mo  Mo2  4  0.1997  0.0000  0.6137  1.0
  Pt  Pt3  4  0.0371  0.5000  0.3753  1.0
  C  C4  4  0.2202  0.5000  0.1423  1.0
]