data_[Te2Mo1W2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3020]
_cell_length_b [3.3020]
_cell_length_c [22.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Te2Mo(WS2)2]
_chemical_formula_sum '[Te2 Mo1 W2 S4]'
_cell_volume [209.7958]
_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
[
  Te  Te0  1  0.0000  0.0000  0.5827  1
  Te  Te1  1  0.0000  0.0000  0.7563  1
  Mo  Mo2  1  0.0000  0.0000  0.3416  1
  W  W3  1  0.6667  0.3333  0.0298  1
  W  W4  1  0.6667  0.3333  0.6696  1
  S  S5  1  0.0000  0.0000  0.0989  1
  S  S6  1  0.0000  0.0000  0.9607  1
  S  S7  1  0.6667  0.3333  0.2728  1
  S  S8  1  0.6667  0.3333  0.4104  1
]