data_[Li4Ga2As2S8]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.7797]
_cell_length_b [6.5925]
_cell_length_c [5.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2GaAsS4]
_chemical_formula_sum '[Li4 Ga2 As2 S8]'
_cell_volume [342.7227]
_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
[
  Li  Li0  4  0.2480  0.3248  0.4853  1.0
  Ga  Ga1  2  0.0000  0.1556  0.9913  1.0
  As  As2  2  0.0000  0.8050  0.4804  1.0
  S  S3  4  0.2218  0.3099  0.8974  1.0
  S  S4  2  0.0000  0.1431  0.3902  1.0
  S  S5  2  0.0000  0.8190  0.8726  1.0
]