data_[Ga4Mo16C4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1932]
_cell_length_b [10.1932]
_cell_length_c [10.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [GaMo4CS8]
_chemical_formula_sum '[Ga4 Mo16 C4 S32]'
_cell_volume [1059.0762]
_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
[
  Ga  Ga0  4  0.0000  0.0000  0.0000  1
  Mo  Mo1  16  0.0971  0.0971  0.5971  1
  C  C2  4  0.2500  0.2500  0.7500  1
  S  S3  16  0.1300  0.1300  0.3700  1
  S  S4  16  0.1437  0.1437  0.8563  1
]