data_[Sr2Li2Sc2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0238]
_cell_length_b [3.8861]
_cell_length_c [8.5363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiScS3]
_chemical_formula_sum '[Sr2 Li2 Sc2 S6]'
_cell_volume [256.3062]
_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
[
  Sr  Sr0  2  0.2017  0.2500  0.2432  1.0
  Li  Li1  2  0.0883  0.2500  0.5914  1.0
  Sc  Sc2  2  0.3276  0.7500  0.8420  1.0
  S  S3  2  0.1154  0.2500  0.8693  1.0
  S  S4  2  0.2228  0.7500  0.5272  1.0
  S  S5  2  0.4511  0.7500  0.1579  1.0
]