data_[Ga4Mo16Se32]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2979]
_cell_length_b [10.2979]
_cell_length_c [10.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ga(MoSe2)4]
_chemical_formula_sum '[Ga4 Mo16 Se32]'
_cell_volume [1092.0613]
_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  1.0
  Mo  Mo1  16  0.1000  0.1000  0.6000  1.0
  Se  Se2  16  0.1355  0.1355  0.3645  1.0
  Se  Se3  16  0.1373  0.1373  0.8627  1.0
]