data_[Li1Mn1Tl2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2058]
_cell_length_b [7.4278]
_cell_length_c [7.6865]
_cell_angle_alpha [92.4999]
_cell_angle_beta [116.7121]
_cell_angle_gamma [118.7091]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn(TlBr3)2]
_chemical_formula_sum '[Li1 Mn1 Tl2 Br6]'
_cell_volume [304.1201]
_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
[
  Li  Li0  1  0.3065  0.1211  0.8130  1.0
  Mn  Mn1  1  0.3702  0.6882  0.3165  1.0
  Tl  Tl2  1  0.8646  0.4064  0.5759  1.0
  Tl  Tl3  1  0.8760  0.9695  0.0659  1.0
  Br  Br4  1  0.2926  0.4055  0.9865  1.0
  Br  Br5  1  0.3354  0.4218  0.4974  1.0
  Br  Br6  1  0.4154  0.9649  0.1356  1.0
  Br  Br7  1  0.4654  0.9821  0.6443  1.0
  Br  Br8  1  0.8296  0.8556  0.4927  1.0
  Br  Br9  1  0.9211  0.5232  0.1337  1.0
]