data_[Te6Mo3W1Se2]
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 [P3m1]
_cell_length_a [3.4993]
_cell_length_b [3.4993]
_cell_length_c [39.5599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Te6Mo3WSe2]
_chemical_formula_sum '[Te6 Mo3 W1 Se2]'
_cell_volume [419.5078]
_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  0.3333  0.6667  0.2355  1
  Te  Te1  1  0.3333  0.6667  0.3281  1
  Te  Te2  1  0.3333  0.6667  0.6109  1
  Te  Te3  1  0.3333  0.6667  0.7041  1
  Te  Te4  1  0.6667  0.3333  0.0476  1
  Te  Te5  1  0.6667  0.3333  0.1402  1
  Mo  Mo6  1  0.3333  0.6667  0.0939  1
  Mo  Mo7  1  0.3333  0.6667  0.4697  1
  Mo  Mo8  1  0.6667  0.3333  0.2818  1
  W  W9  1  0.6667  0.3333  0.6575  1
  Se  Se10  1  0.6667  0.3333  0.4287  1
  Se  Se11  1  0.6667  0.3333  0.5106  1
]