data_[Ac4Tl4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5037]
_cell_length_b [19.8022]
_cell_length_c [6.5755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcTlBi3]
_chemical_formula_sum '[Ac4 Tl4 Bi12]'
_cell_volume [716.6389]
_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
[
  Ac  Ac0  4  0.0000  0.1734  0.7500  1
  Tl  Tl1  4  0.0000  0.3781  0.7500  1
  Bi  Bi2  4  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.0000  0.2216  0.2500  1
  Bi  Bi4  4  0.0000  0.4450  0.2500  1
]