data_[Lu8Si2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4809]
_cell_length_b [5.4809]
_cell_length_c [10.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Lu4SiS3]
_chemical_formula_sum '[Lu8 Si2 S6]'
_cell_volume [330.0132]
_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
[
  Lu  Lu0  4  0.0000  0.0000  0.2529  1.0
  Lu  Lu1  4  0.0000  0.5000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.0000  0.5000  0.2500  1.0
  S  S4  2  0.0000  0.0000  0.0000  1.0
]