data_[Mn1Tl2Au1Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2675]
_cell_length_b [7.5846]
_cell_length_c [7.7305]
_cell_angle_alpha [64.3195]
_cell_angle_beta [67.4245]
_cell_angle_gamma [83.9336]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl2AuBr6]
_chemical_formula_sum '[Mn1 Tl2 Au1 Br6]'
_cell_volume [353.6526]
_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  0.0642  0.6968  0.6099  1.0
  Tl  Tl1  1  0.2130  0.3823  0.2346  1.0
  Tl  Tl2  1  0.9131  0.9922  0.0750  1.0
  Au  Au3  1  0.7556  0.1942  0.3956  1.0
  Br  Br4  1  0.2243  0.3875  0.6719  1.0
  Br  Br5  1  0.2359  0.7811  0.7820  1.0
  Br  Br6  1  0.2793  0.9330  0.2393  1.0
  Br  Br7  1  0.6995  0.4511  0.1014  1.0
  Br  Br8  1  0.7937  0.9355  0.7034  1.0
  Br  Br9  1  0.8367  0.5848  0.5101  1.0
]