data_[Pa4Mn4Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9437]
_cell_length_b [4.7991]
_cell_length_c [9.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PaMnNi5]
_chemical_formula_sum '[Pa4 Mn4 Ni20]'
_cell_volume [377.3592]
_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
[
  Pa  Pa0  4  0.2482  0.7500  0.5572  1
  Mn  Mn1  4  0.1455  0.7500  0.8522  1
  Ni  Ni2  8  0.0649  0.0050  0.3048  1
  Ni  Ni3  4  0.0462  0.7500  0.0873  1
  Ni  Ni4  4  0.0976  0.2500  0.5178  1
  Ni  Ni5  4  0.1887  0.2500  0.7512  1
]