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 [Cm]
_cell_length_a [12.6977]
_cell_length_b [3.7772]
_cell_length_c [6.9327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiGaS2]
_chemical_formula_sum '[Li4 Ga4 S8]'
_cell_volume [328.9120]
_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  2  0.1862  0.0000  0.1522  1
  Li  Li1  2  0.4357  0.0000  0.9201  1
  Ga  Ga2  2  0.1787  0.5000  0.6842  1
  Ga  Ga3  2  0.4289  0.5000  0.4341  1
  S  S4  2  0.1176  0.0000  0.4849  1
  S  S5  2  0.1232  0.5000  0.9690  1
  S  S6  2  0.3619  0.5000  0.7217  1
  S  S7  2  0.3805  0.0000  0.2496  1
]