data_[Tl8Mo4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2595]
_cell_length_b [6.2323]
_cell_length_c [11.8249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tl2MoO4]
_chemical_formula_sum '[Tl8 Mo4 O16]'
_cell_volume [608.7016]
_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
[
  Tl  Tl0  4  0.0133  0.2500  0.2367  1
  Tl  Tl1  4  0.1842  0.2500  0.5648  1
  Mo  Mo2  4  0.2035  0.2500  0.9282  1
  O  O3  8  0.2077  0.5099  0.3697  1
  O  O4  4  0.0108  0.7500  0.0970  1
  O  O5  4  0.2445  0.2500  0.0783  1
]