data_[Li2Mg4In2S8]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1452]
_cell_length_b [6.9944]
_cell_length_c [6.5358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMg2InS4]
_chemical_formula_sum '[Li2 Mg4 In2 S8]'
_cell_volume [372.3517]
_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  0.8358  0.4961  1.0
  Mg  Mg1  4  0.2491  0.6680  0.9981  1.0
  In  In2  2  0.0000  0.1686  0.9990  1.0
  S  S3  4  0.2477  0.6660  0.3766  1.0
  S  S4  2  0.0000  0.1699  0.3814  1.0
  S  S5  2  0.0000  0.8324  0.8741  1.0
]