data_[Mn1Tl2Au1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1252]
_cell_length_b [7.2433]
_cell_length_c [7.5080]
_cell_angle_alpha [116.8291]
_cell_angle_beta [117.9167]
_cell_angle_gamma [90.2106]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl2AuCl6]
_chemical_formula_sum '[Mn1 Tl2 Au1 Cl6]'
_cell_volume [293.9611]
_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  0.3253  0.6959  0.3757  1
  Tl  Tl1  1  0.0084  0.9290  0.8653  1
  Tl  Tl2  1  0.6234  0.4259  0.9336  1
  Au  Au3  1  0.8118  0.1848  0.5800  1
  Cl  Cl4  1  0.0499  0.8589  0.3054  1
  Cl  Cl5  1  0.1016  0.4142  0.3036  1
  Cl  Cl6  1  0.1284  0.4617  0.8473  1
  Cl  Cl7  1  0.4905  0.9132  0.2824  1
  Cl  Cl8  1  0.5328  0.9364  0.7967  1
  Cl  Cl9  1  0.5896  0.5184  0.3868  1
]