data_[Ta2Te8Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [13.0696]
_cell_length_b [3.3629]
_cell_length_c [19.3493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaTe4Mo]
_chemical_formula_sum '[Ta2 Te8 Mo2]'
_cell_volume [850.4374]
_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
[
  Ta  Ta0  2  0.3397  0.2500  0.5044  1
  Te  Te1  2  0.0324  0.2500  0.5784  1
  Te  Te2  2  0.2094  0.2500  0.3909  1
  Te  Te3  2  0.2788  0.7500  0.6124  1
  Te  Te4  2  0.4641  0.7500  0.4171  1
  Mo  Mo5  2  0.1574  0.7500  0.4964  1
]