data_[Mn1Tl1B2O6]
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 [P-1]
_cell_length_a [4.7577]
_cell_length_b [4.8775]
_cell_length_c [5.8521]
_cell_angle_alpha [68.4594]
_cell_angle_beta [66.3683]
_cell_angle_gamma [62.5132]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl(BO3)2]
_chemical_formula_sum '[Mn1 Tl1 B2 O6]'
_cell_volume [107.5631]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.5000  0.5000  0.5000  1.0
  B  B2  2  0.2755  0.2430  0.2303  1.0
  O  O3  2  0.0005  0.7839  0.7732  1.0
  O  O4  2  0.2432  0.5312  0.2484  1.0
  O  O5  2  0.4315  0.0191  0.7736  1.0
]