data_[Mn3Tl3Mo6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [R-3]
_cell_length_a [5.3439]
_cell_length_b [5.3439]
_cell_length_c [25.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [MnTl(MoO4)2]
_chemical_formula_sum '[Mn3 Tl3 Mo6 O24]'
_cell_volume [624.2414]
_cell_formula_units_Z [3]
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
[
  Mn  Mn0  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1
  Mo  Mo2  6  0.0000  0.0000  0.2648  1
  O  O3  18  0.0092  0.6332  0.6197  1
  O  O4  6  0.0000  0.0000  0.1949  1
]