data_[Te8Mo8]
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 [P2_12_12_1]
_cell_length_a [5.6585]
_cell_length_b [7.3220]
_cell_length_c [8.8319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TeMo]
_chemical_formula_sum '[Te8 Mo8]'
_cell_volume [365.9191]
_cell_formula_units_Z [8]
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  0.0177  0.6217  0.6469  1
  Te  Te1  4  0.0310  0.2115  0.3985  1
  Mo  Mo2  4  0.0015  0.8485  0.3956  1
  Mo  Mo3  4  0.2191  0.0405  0.1326  1
]