data_[Li4Ga4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.5950]
_cell_length_b [7.9360]
_cell_length_c [6.2990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [LiGaS2]
_chemical_formula_sum '[Li4 Ga4 S8]'
_cell_volume [329.6774]
_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
[
  Li  Li0  4  0.0853  0.3776  0.6183  1.0
  Ga  Ga1  4  0.0732  0.8741  0.6219  1.0
  S  S2  4  0.0670  0.8833  0.9886  1.0
  S  S3  4  0.0945  0.3641  0.0074  1.0
]