data_[Mg1Al1Tl1Mo2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  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 [P3m1]
_cell_length_a [5.5645]
_cell_length_b [5.5645]
_cell_length_c [6.9911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MgAlTl(MoO4)2]
_chemical_formula_sum '[Mg1 Al1 Tl1 Mo2 O8]'
_cell_volume [187.4718]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.3333  0.6667  0.1696  1
  Al  Al1  1  0.0000  0.0000  0.0146  1
  Tl  Tl2  1  0.0000  0.0000  0.4816  1
  Mo  Mo3  1  0.3333  0.6667  0.7257  1
  Mo  Mo4  1  0.6667  0.3333  0.3037  1
  O  O5  3  0.1666  0.3332  0.8397  1
  O  O6  3  0.3161  0.1580  0.1577  1
  O  O7  1  0.3333  0.6667  0.4591  1
  O  O8  1  0.6667  0.3333  0.5618  1
]