data_[Mg2Tl2Ga2Br8]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5706]
_cell_length_b [7.7100]
_cell_length_c [9.0411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgTlGaBr4]
_chemical_formula_sum '[Mg2 Tl2 Ga2 Br8]'
_cell_volume [502.2098]
_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  0.2441  0.7500  0.3146  1
  Tl  Tl1  2  0.2410  0.2500  0.0490  1
  Ga  Ga2  2  0.2256  0.2500  0.5373  1
  Br  Br3  4  0.0224  0.0027  0.2580  1
  Br  Br4  2  0.4414  0.7500  0.1389  1
  Br  Br5  2  0.4551  0.7500  0.5891  1
]