data_[Te4Mo2Cl16]
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 [C2/m]
_cell_length_a [13.2492]
_cell_length_b [8.2758]
_cell_length_c [7.4170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2MoCl8]
_chemical_formula_sum '[Te4 Mo2 Cl16]'
_cell_volume [812.1482]
_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  0.1122  0.0000  0.3251  1
  Mo  Mo1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0358  0.2650  0.2062  1
  Cl  Cl3  4  0.1550  0.0000  0.8541  1
  Cl  Cl4  4  0.2086  0.5000  0.6606  1
]