data_[Ac6Zn6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1011]
_cell_length_b [4.6375]
_cell_length_c [20.0786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ac3Zn3Ni]
_chemical_formula_sum '[Ac6 Zn6 Ni2]'
_cell_volume [381.8699]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0049  1
  Ac  Ac1  2  0.0000  0.5000  0.1777  1
  Ac  Ac2  2  0.0000  0.5000  0.8111  1
  Zn  Zn3  2  0.0000  0.0000  0.4405  1
  Zn  Zn4  2  0.0000  0.5000  0.3670  1
  Zn  Zn5  2  0.0000  0.5000  0.6303  1
  Ni  Ni6  2  0.0000  0.0000  0.5684  1
]