data_[Te4Mo1W1]
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
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5523]
_cell_length_b [3.5523]
_cell_length_c [25.0486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Te4MoW]
_chemical_formula_sum '[Te4 Mo1 W1]'
_cell_volume [273.7400]
_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  0.7770  1.0
  Te  Te1  1  0.0000  0.0000  0.9221  1.0
  Te  Te2  1  0.6667  0.3333  0.4761  1.0
  Te  Te3  1  0.6667  0.3333  0.6211  1.0
  Mo  Mo4  1  0.0000  0.0000  0.5486  1.0
  W  W5  1  0.6667  0.3333  0.8496  1.0
]