data_[Mg4Tc8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5823]
_cell_length_b [6.5823]
_cell_length_c [6.5823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MgTc2Bi]
_chemical_formula_sum '[Mg4 Tc8 Bi4]'
_cell_volume [285.1850]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Tc  Tc1  4  0.0000  0.0000  0.5000  1
  Tc  Tc2  4  0.2500  0.2500  0.2500  1
  Bi  Bi3  4  0.2500  0.2500  0.7500  1
]