data_[Te2Mo1W3Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3835]
_cell_length_b [3.3835]
_cell_length_c [28.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Te2Mo(WSe2)3]
_chemical_formula_sum '[Te2 Mo1 W3 Se6]'
_cell_volume [286.7508]
_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  2  0.6667  0.3333  0.4349  1.0
  Mo  Mo1  1  0.0000  0.0000  0.5000  1.0
  W  W2  2  0.6667  0.3333  0.7562  1.0
  W  W3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.0000  0.0000  0.1864  1.0
  Se  Se5  2  0.0000  0.0000  0.3027  1.0
  Se  Se6  2  0.6667  0.3333  0.9437  1.0
]