data_[In12Mo16W8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4035]
_cell_length_b [5.4260]
_cell_length_c [14.3487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3Mo4W2C3]
_chemical_formula_sum '[In12 Mo16 W8 C12]'
_cell_volume [714.4953]
_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
[
  In  In0  8  0.1662  0.4171  0.2489  1
  In  In1  4  0.0000  0.0834  0.7500  1
  Mo  Mo2  8  0.1102  0.0763  0.0811  1
  Mo  Mo3  8  0.2194  0.0870  0.4189  1
  W  W4  8  0.0601  0.4133  0.9207  1
  C  C5  8  0.0816  0.2555  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]