data_[Tm4Mo4Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [C2/m]
_cell_length_a [9.7093]
_cell_length_b [3.7894]
_cell_length_c [9.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmMoClO3]
_chemical_formula_sum '[Tm4 Mo4 Cl4 O12]'
_cell_volume [352.9302]
_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
[
  Tm  Tm0  4  0.2035  0.0000  0.6910  1
  Mo  Mo1  4  0.0988  0.5000  0.9451  1
  Cl  Cl2  4  0.1180  0.0000  0.4090  1
  O  O3  4  0.0983  0.5000  0.1527  1
  O  O4  4  0.1409  0.5000  0.7507  1
  O  O5  4  0.1610  0.0000  0.9529  1
]