data_[Li2Ac2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9221]
_cell_length_b [3.9221]
_cell_length_c [12.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiAcBi]
_chemical_formula_sum '[Li2 Ac2 Bi2]'
_cell_volume [184.6179]
_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
[
  Li  Li0  2  0.0000  0.0000  0.7018  1
  Ac  Ac1  2  0.0000  0.0000  0.9995  1
  Bi  Bi2  2  0.0000  0.0000  0.2986  1
]