data_[Ti3Mn3Tl6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5473]
_cell_length_b [5.5473]
_cell_length_c [14.4796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TiMnTl2O6]
_chemical_formula_sum '[Ti3 Mn3 Tl6 O18]'
_cell_volume [385.8757]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.6900  1
  Mn  Mn1  3  0.0000  0.0000  0.1884  1
  Tl  Tl2  3  0.0000  0.0000  0.4683  1
  Tl  Tl3  3  0.0000  0.0000  0.9593  1
  O  O4  9  0.0070  0.3891  0.4189  1
  O  O5  9  0.0678  0.6991  0.2586  1
]