data_[Li2Mn1Tl1Br6]
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 [P-1]
_cell_length_a [6.6429]
_cell_length_b [6.6899]
_cell_length_c [8.5418]
_cell_angle_alpha [88.9433]
_cell_angle_beta [67.2902]
_cell_angle_gamma [63.9259]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnTlBr6]
_chemical_formula_sum '[Li2 Mn1 Tl1 Br6]'
_cell_volume [309.2510]
_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  2  0.3720  0.3238  0.4842  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  2  0.1373  0.2447  0.3144  1.0
  Br  Br4  2  0.1835  0.0559  0.6896  1.0
  Br  Br5  2  0.4513  0.6194  0.3015  1.0
]