data_[Te1Mo3Cl7]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.7621]
_cell_length_b [6.7621]
_cell_length_c [18.7621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TeMo3Cl7]
_chemical_formula_sum '[Te1 Mo3 Cl7]'
_cell_volume [742.9810]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.3852  1
  Mo  Mo1  3  0.1963  0.3927  0.4984  1
  Cl  Cl2  3  0.0115  0.5058  0.5857  1
  Cl  Cl3  3  0.3365  0.1683  0.4315  1
  Cl  Cl4  1  0.0000  0.0000  0.5682  1
]