data_[Ac5Si3Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.2106]
_cell_length_b [9.2106]
_cell_length_c [4.2115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ac5(SiNi)3]
_chemical_formula_sum '[Ac5 Si3 Ni3]'
_cell_volume [309.4182]
_cell_formula_units_Z [1]
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  3  0.0000  0.7631  0.5000  1
  Ac  Ac1  2  0.3333  0.6667  0.5000  1
  Si  Si2  3  0.0000  0.3364  0.0000  1
  Ni  Ni3  3  0.0000  0.4114  0.5000  1
]