data_[Ac4Pa4Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8398]
_cell_length_b [25.1346]
_cell_length_c [4.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcPaNi3]
_chemical_formula_sum '[Ac4 Pa4 Ni12]'
_cell_volume [399.3678]
_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  0.0730  0.7500  1
  Pa  Pa1  4  0.0000  0.2029  0.2500  1
  Ni  Ni2  4  0.0000  0.3106  0.2500  1
  Ni  Ni3  4  0.0000  0.3722  0.7500  1
  Ni  Ni4  4  0.0000  0.4725  0.7500  1
]