data_[Ac12In12Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0822]
_cell_length_b [12.5647]
_cell_length_c [17.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3In3Ni2]
_chemical_formula_sum '[Ac12 In12 Ni8]'
_cell_volume [898.5006]
_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  8  0.0000  0.0566  0.6018  1
  Ac  Ac1  4  0.0000  0.3221  0.7500  1
  In  In2  8  0.0000  0.3288  0.5422  1
  In  In3  4  0.0000  0.3919  0.2500  1
  Ni  Ni4  8  0.0000  0.2631  0.1218  1
]