data_[Mn9Tl3B12O36]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.6836]
_cell_length_b [9.6836]
_cell_length_c [7.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Mn3Tl(BO3)4]
_chemical_formula_sum '[Mn9 Tl3 B12 O36]'
_cell_volume [628.2028]
_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  9  0.0000  0.5465  0.0000  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0000  1.0
  B  B2  9  0.0000  0.4544  0.5000  1.0
  B  B3  3  0.0000  0.0000  0.5000  1.0
  O  O4  18  0.0190  0.2076  0.1801  1.0
  O  O5  9  0.0000  0.5970  0.5000  1.0
  O  O6  9  0.0000  0.8571  0.5000  1.0
]