data_[Lu8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6955]
_cell_length_b [11.5766]
_cell_length_c [6.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2S3]
_chemical_formula_sum '[Lu8 S12]'
_cell_volume [484.8106]
_cell_formula_units_Z [4]
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  0.3315  0.5000  1.0
  Lu  Lu1  2  0.0000  0.0000  0.5000  1.0
  Lu  Lu2  2  0.0000  0.5000  0.0000  1.0
  S  S3  8  0.2487  0.3386  0.2608  1.0
  S  S4  4  0.2351  0.5000  0.7418  1.0
]