data_[Ac4Pr12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0185]
_cell_length_b [4.0446]
_cell_length_c [12.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPr3Ni2]
_chemical_formula_sum '[Ac4 Pr12 Ni8]'
_cell_volume [696.7975]
_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  4  0.1520  0.0000  0.7484  1
  Pr  Pr1  4  0.0830  0.5000  0.9465  1
  Pr  Pr2  4  0.0866  0.5000  0.4408  1
  Pr  Pr3  4  0.1539  0.0000  0.2510  1
  Ni  Ni4  4  0.2318  0.0000  0.0461  1
  Ni  Ni5  4  0.2332  0.0000  0.5455  1
]