data_[Mn1Tl1Cd2Br8]
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
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6868]
_cell_length_b [6.7746]
_cell_length_c [9.6267]
_cell_angle_alpha [83.0566]
_cell_angle_beta [88.5762]
_cell_angle_gamma [70.9513]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl(CdBr4)2]
_chemical_formula_sum '[Mn1 Tl1 Cd2 Br8]'
_cell_volume [409.1418]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.3597  0.3724  0.7799  1.0
  Br  Br3  2  0.1951  0.7448  0.1980  1.0
  Br  Br4  2  0.2330  0.2144  0.0222  1.0
  Br  Br5  2  0.2717  0.7781  0.8053  1.0
  Br  Br6  2  0.3132  0.2970  0.5325  1.0
]