data_[Ac12Ni10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3807]
_cell_length_b [12.7632]
_cell_length_c [7.3819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ni5]
_chemical_formula_sum '[Ac12 Ni10]'
_cell_volume [656.1776]
_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  8  0.2411  0.3275  0.7422  1
  Ac  Ac1  4  0.2404  0.5000  0.2543  1
  Ni  Ni2  4  0.0000  0.1617  0.5000  1
  Ni  Ni3  4  0.0000  0.3329  0.0000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
]