data_[Mg2Tl4V2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3838]
_cell_length_b [7.5314]
_cell_length_c [12.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgTl2VBr6]
_chemical_formula_sum '[Mg2 Tl4 V2 Br12]'
_cell_volume [591.0907]
_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
  Tl  Tl1  4  0.2352  0.5598  0.7505  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1753  0.7039  0.4679  1.0
  Br  Br4  4  0.2654  0.2085  0.4682  1.0
  Br  Br5  4  0.3192  0.5015  0.2527  1.0
]