data_[Tl4Mo2Cl10O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.1912]
_cell_length_b [7.1912]
_cell_length_c [9.7630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2MoCl5O]
_chemical_formula_sum '[Tl4 Mo2 Cl10 O2]'
_cell_volume [504.8821]
_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
[
  Tl  Tl0  4  0.0000  0.5000  0.2345  1
  Mo  Mo1  2  0.0000  0.0000  0.9813  1
  Cl  Cl2  8  0.2388  0.2388  0.0014  1
  Cl  Cl3  2  0.0000  0.0000  0.2393  1
  O  O4  2  0.0000  0.0000  0.8047  1
]