data_[Mg1Tl1In1Bi2]
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
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8828]
_cell_length_b [4.8828]
_cell_length_c [8.2526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MgTlInBi2]
_chemical_formula_sum '[Mg1 Tl1 In1 Bi2]'
_cell_volume [170.3954]
_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
[
  Mg  Mg0  1  0.3333  0.6667  0.3702  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0168  1.0
  In  In2  1  0.6667  0.3333  0.6132  1.0
  Bi  Bi3  1  0.3333  0.6667  0.7534  1.0
  Bi  Bi4  1  0.6667  0.3333  0.2464  1.0
]