data_[Mn1Tl2Zn1Br6]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8403]
_cell_length_b [7.9638]
_cell_length_c [8.3444]
_cell_angle_alpha [113.3965]
_cell_angle_beta [90.2079]
_cell_angle_gamma [109.1887]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl2ZnBr6]
_chemical_formula_sum '[Mn1 Tl2 Zn1 Br6]'
_cell_volume [389.2587]
_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  0.2755  0.4563  0.9788  1.0
  Tl  Tl1  1  0.4935  0.9548  0.5236  1.0
  Tl  Tl2  1  0.9230  0.9258  0.0941  1.0
  Zn  Zn3  1  0.7777  0.4388  0.2634  1.0
  Br  Br4  1  0.3930  0.3602  0.2108  1.0
  Br  Br5  1  0.3962  0.8202  0.0957  1.0
  Br  Br6  1  0.3966  0.3455  0.6955  1.0
  Br  Br7  1  0.8689  0.2784  0.4261  1.0
  Br  Br8  1  0.8760  0.3050  0.9599  1.0
  Br  Br9  1  0.9380  0.7918  0.4137  1.0
]