data_[Li2Mg4Al2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0404]
_cell_length_b [6.7809]
_cell_length_c [6.3692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMg2AlS4]
_chemical_formula_sum '[Li2 Mg4 Al2 S8]'
_cell_volume [347.2577]
_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  2  0.0000  0.8399  0.4943  1.0
  Mg  Mg1  4  0.2477  0.6737  0.9980  1.0
  Al  Al2  2  0.0000  0.1739  0.9991  1.0
  S  S3  4  0.2360  0.3253  0.8863  1.0
  S  S4  2  0.0000  0.1760  0.3561  1.0
  S  S5  2  0.0000  0.8572  0.8817  1.0
]