data_[Ac12In4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6108]
_cell_length_b [25.4264]
_cell_length_c [5.1635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac3InB]
_chemical_formula_sum '[Ac12 In4 B4]'
_cell_volume [736.6310]
_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  0.0771  0.5000  1
  Ac  Ac1  4  0.0000  0.2028  0.0000  1
  Ac  Ac2  4  0.0000  0.4120  0.0000  1
  In  In3  4  0.0000  0.3149  0.5000  1
  B  B4  4  0.0000  0.1019  0.0000  1
]