data_[Mg2Mn2Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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_1/c]
_cell_length_a [7.4316]
_cell_length_b [7.6017]
_cell_length_c [13.0178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgMn(TlBr3)2]
_chemical_formula_sum '[Mg2 Mn2 Tl4 Br12]'
_cell_volume [603.5115]
_cell_formula_units_Z [2]
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
[
  Mg  Mg0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2358  0.5597  0.7504  1.0
  Br  Br3  4  0.1748  0.7060  0.4674  1.0
  Br  Br4  4  0.2613  0.2077  0.4672  1.0
  Br  Br5  4  0.3166  0.5041  0.2502  1.0
]