data_[Tl4Mo2O8]
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 [Imm2]
_cell_length_a [6.3042]
_cell_length_b [9.3831]
_cell_length_c [6.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl2MoO4]
_chemical_formula_sum '[Tl4 Mo2 O8]'
_cell_volume [397.5608]
_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  0.2871  0.4829  1.0
  Mo  Mo1  2  0.0000  0.0000  0.0067  1.0
  O  O2  4  0.0000  0.1583  0.1571  1.0
  O  O3  4  0.2338  0.0000  0.8577  1.0
]