data_[Ac4Ce12Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3161]
_cell_length_b [5.0832]
_cell_length_c [8.3531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcCe3Sb2]
_chemical_formula_sum '[Ac4 Ce12 Sb8]'
_cell_volume [719.0197]
_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  0.1151  0.0000  0.1777  1
  Ce  Ce1  4  0.0648  0.0000  0.6485  1
  Ce  Ce2  4  0.1184  0.5000  0.5391  1
  Ce  Ce3  4  0.2016  0.5000  0.8903  1
  Sb  Sb4  4  0.0233  0.5000  0.8310  1
  Sb  Sb5  4  0.2472  0.0000  0.6865  1
]