data_[As1W4C2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2466]
_cell_length_b [3.2466]
_cell_length_c [11.8416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [AsW4C2S]
_chemical_formula_sum '[As1 W4 C2 S1]'
_cell_volume [108.0958]
_cell_formula_units_Z [1]
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
[
  As  As0  1  0.6667  0.3333  0.5000  1
  W  W1  2  0.0000  0.0000  0.3375  1
  W  W2  2  0.6667  0.3333  0.1597  1
  C  C3  2  0.3333  0.6667  0.2460  1
  S  S4  1  0.0000  0.0000  0.0000  1
]