data_[Al4Ga4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0994]
_cell_length_b [10.8238]
_cell_length_c [6.3273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Ga2S7]
_chemical_formula_sum '[Al4 Ga4 S14]'
_cell_volume [455.8276]
_cell_formula_units_Z [2]
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
[
  Al  Al0  4  0.0000  0.3178  0.5000  1
  Ga  Ga1  4  0.2449  0.5000  0.1493  1
  S  S2  8  0.2207  0.3119  0.2810  1
  S  S3  4  0.1582  0.5000  0.7404  1
  S  S4  2  0.0000  0.0000  0.0000  1
]