data_[Mg28Al2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.3691]
_cell_length_b [6.6307]
_cell_length_c [10.8097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14AlBi]
_chemical_formula_sum '[Mg28 Al2 Bi2]'
_cell_volume [743.2198]
_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  8  0.2493  0.2422  0.9162  1.0
  Mg  Mg1  4  0.0000  0.2496  0.5838  1.0
  Mg  Mg2  4  0.2444  0.0000  0.1645  1.0
  Mg  Mg3  4  0.2538  0.0000  0.6685  1.0
  Mg  Mg4  4  0.5000  0.2496  0.5845  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3349  1.0
  Mg  Mg6  2  0.0000  0.0000  0.8344  1.0
  Al  Al7  2  0.5000  0.0000  0.8318  1.0
  Bi  Bi8  2  0.5000  0.0000  0.3316  1.0
]