data_[Mn16Ga8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.2121]
_cell_length_b [10.2121]
_cell_length_c [10.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Mn2GaS4]
_chemical_formula_sum '[Mn16 Ga8 S32]'
_cell_volume [1065.0038]
_cell_formula_units_Z [8]
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
[
  Mn  Mn0  16  0.1250  0.1250  0.1250  1
  Ga  Ga1  8  0.0000  0.0000  0.5000  1
  S  S2  32  0.1179  0.1179  0.8821  1
]