data_[Te8Mo6]
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 [I4/mmm]
_cell_length_a [3.2792]
_cell_length_b [3.2792]
_cell_length_c [30.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Te4Mo3]
_chemical_formula_sum '[Te8 Mo6]'
_cell_volume [324.5608]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1701  1
  Te  Te1  4  0.0000  0.0000  0.4442  1
  Mo  Mo2  4  0.0000  0.0000  0.2795  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
]