data_[Mn2Tl1Bi1Br8]
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
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5997]
_cell_length_b [8.4796]
_cell_length_c [6.9396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn2TlBiBr8]
_chemical_formula_sum '[Mn2 Tl1 Bi1 Br8]'
_cell_volume [388.2959]
_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  2  0.5000  0.2590  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2718  0.2268  0.1825  1.0
  Br  Br4  2  0.2648  0.0000  0.6562  1.0
  Br  Br5  2  0.2842  0.5000  0.6300  1.0
]