data_[Ac12Pm4Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4744]
_cell_length_b [10.9970]
_cell_length_c [7.4200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3PmNi3]
_chemical_formula_sum '[Ac12 Pm4 Ni12]'
_cell_volume [773.0749]
_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  0.0000  0.1779  0.5000  1
  Ac  Ac1  4  0.0000  0.2464  0.0000  1
  Ac  Ac2  4  0.1688  0.5000  0.3591  1
  Pm  Pm3  4  0.2499  0.0000  0.1385  1
  Ni  Ni4  8  0.2376  0.2737  0.6975  1
  Ni  Ni5  4  0.0531  0.0000  0.8304  1
]