data_[Mg2Tl4Ga2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.4221]
_cell_length_b [9.3330]
_cell_length_c [7.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgTl2GaBi2]
_chemical_formula_sum '[Mg2 Tl4 Ga2 Bi4]'
_cell_volume [357.1405]
_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  0.4997  0.5294  1
  Tl  Tl1  2  0.0000  0.1542  0.8151  1
  Tl  Tl2  2  0.5000  0.0675  0.4906  1
  Ga  Ga3  2  0.5000  0.3247  0.1640  1
  Bi  Bi4  2  0.0000  0.2318  0.2871  1
  Bi  Bi5  2  0.5000  0.3703  0.7594  1
]