data_[Sr2W8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5042]
_cell_length_b [3.3246]
_cell_length_c [11.5507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(WS2)4]
_chemical_formula_sum '[Sr2 W8 S16]'
_cell_volume [474.0360]
_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  0.0000  0.5000  0.0000  1
  W  W1  4  0.1681  0.5000  0.4779  1
  W  W2  4  0.1867  0.0000  0.8632  1
  S  S3  4  0.0425  0.5000  0.7415  1
  S  S4  4  0.1361  0.0000  0.5977  1
  S  S5  4  0.1431  0.0000  0.3017  1
  S  S6  4  0.1787  0.0000  0.0622  1
]