data_[Mg4Ag4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1057]
_cell_length_b [8.1057]
_cell_length_c [3.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Ag2Bi]
_chemical_formula_sum '[Mg4 Ag4 Bi2]'
_cell_volume [218.0713]
_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  4  0.1638  0.3362  0.5000  1.0
  Ag  Ag1  4  0.1272  0.6272  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
]