data_[Ac4Ti4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [14.0018]
_cell_length_b [6.4493]
_cell_length_c [6.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [AcTiSb3]
_chemical_formula_sum '[Ac4 Ti4 Sb12]'
_cell_volume [569.7042]
_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  0.3117  0.0056  0.2500  1
  Ti  Ti1  4  0.0844  0.7500  0.0000  1
  Sb  Sb2  4  0.0676  0.1049  0.2500  1
  Sb  Sb3  4  0.2113  0.5080  0.2500  1
  Sb  Sb4  4  0.4982  0.7500  0.0000  1
]