data_[Ac2Ce2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8054]
_cell_length_b [4.7772]
_cell_length_c [23.4228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AcCeBi6]
_chemical_formula_sum '[Ac2 Ce2 Bi12]'
_cell_volume [537.7044]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.1761  1
  Ce  Ce1  2  0.5000  0.0000  0.8280  1
  Bi  Bi2  2  0.0000  0.0000  0.3212  1
  Bi  Bi3  2  0.0000  0.0000  0.5473  1
  Bi  Bi4  2  0.0000  0.0000  0.9342  1
  Bi  Bi5  2  0.5000  0.0000  0.0650  1
  Bi  Bi6  2  0.5000  0.0000  0.4390  1
  Bi  Bi7  2  0.5000  0.0000  0.6892  1
]