data_[Ba1Mn1Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3944]
_cell_length_b [9.1702]
_cell_length_c [8.3452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaMn(TlBr4)2]
_chemical_formula_sum '[Ba1 Mn1 Tl2 Br8]'
_cell_volume [460.8144]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.2424  0.5000  1.0
  Br  Br3  4  0.2391  0.1925  0.1874  1.0
  Br  Br4  2  0.2305  0.0000  0.8222  1.0
  Br  Br5  2  0.2804  0.5000  0.7394  1.0
]