data_[Te6Mo1W3Se2]
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 [3.4977]
_cell_length_b [3.4977]
_cell_length_c [39.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Te6MoW3Se2]
_chemical_formula_sum '[Te6 Mo1 W3 Se2]'
_cell_volume [420.1038]
_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  0.2960  1.0
  Te  Te1  1  0.0000  0.0000  0.3889  1.0
  Te  Te2  1  0.3333  0.6667  0.4839  1.0
  Te  Te3  1  0.3333  0.6667  0.5768  1.0
  Te  Te4  1  0.3333  0.6667  0.8599  1.0
  Te  Te5  1  0.3333  0.6667  0.9523  1.0
  Mo  Mo6  1  0.0000  0.0000  0.9061  1.0
  W  W7  1  0.0000  0.0000  0.5304  1.0
  W  W8  1  0.3333  0.6667  0.3424  1.0
  W  W9  1  0.3333  0.6667  0.7182  1.0
  Se  Se10  1  0.0000  0.0000  0.6773  1.0
  Se  Se11  1  0.0000  0.0000  0.7591  1.0
]