data_[Te8Mo4]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5587]
_cell_length_b [3.5587]
_cell_length_c [40.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Te2Mo]
_chemical_formula_sum '[Te8 Mo4]'
_cell_volume [446.3122]
_cell_formula_units_Z [4]
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  0.3333  0.6667  0.1388  1.0
  Te  Te1  2  0.3333  0.6667  0.7616  1.0
  Te  Te2  2  0.3333  0.6667  0.0498  1.0
  Te  Te3  2  0.3333  0.6667  0.6727  1.0
  Mo  Mo4  2  0.3333  0.6667  0.2828  1.0
  Mo  Mo5  2  0.3333  0.6667  0.9057  1.0
]