data_[Mn1Tl1Bi2O6]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7234]
_cell_length_b [5.8966]
_cell_length_c [5.9561]
_cell_angle_alpha [119.3675]
_cell_angle_beta [90.5111]
_cell_angle_gamma [117.9525]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl(BiO3)2]
_chemical_formula_sum '[Mn1 Tl1 Bi2 O6]'
_cell_volume [147.1074]
_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  0.1837  0.3648  0.5505  1.0
  Tl  Tl1  1  0.6927  0.3935  0.0899  1.0
  Bi  Bi2  1  0.4813  0.9577  0.4311  1.0
  Bi  Bi3  1  0.9655  0.9418  0.9123  1.0
  O  O4  1  0.0531  0.4114  0.2677  1.0
  O  O5  1  0.3128  0.2304  0.7433  1.0
  O  O6  1  0.3811  0.2272  0.2863  1.0
  O  O7  1  0.5401  0.8770  0.7672  1.0
  O  O8  1  0.8268  0.8666  0.2411  1.0
  O  O9  1  0.9012  0.4064  0.7257  1.0
]