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 [P2_1/m]
_cell_length_a [6.3662]
_cell_length_b [3.4869]
_cell_length_c [15.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2Mo]
_chemical_formula_sum '[Te8 Mo4]'
_cell_volume [344.8351]
_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  0.0616  0.2500  0.4053  1.0
  Te  Te1  2  0.0914  0.7500  0.1332  1.0
  Te  Te2  2  0.4190  0.7500  0.9051  1.0
  Te  Te3  2  0.4360  0.2500  0.6333  1.0
  Mo  Mo4  2  0.1817  0.2500  0.0065  1.0
  Mo  Mo5  2  0.3197  0.7500  0.5065  1.0
]