data_[Ac18Ni12Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.1699]
_cell_length_b [8.1699]
_cell_length_c [19.3487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ac3Ni2Sn]
_chemical_formula_sum '[Ac18 Ni12 Sn6]'
_cell_volume [1118.4479]
_cell_formula_units_Z [6]
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  18  0.0000  0.2828  0.2500  1
  Ni  Ni1  12  0.0000  0.0000  0.3604  1
  Sn  Sn2  6  0.0000  0.0000  0.0000  1
]