data_[Pm4Cu4Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8751]
_cell_length_b [4.8752]
_cell_length_c [9.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PmCuNi5]
_chemical_formula_sum '[Pm4 Cu4 Ni20]'
_cell_volume [382.6774]
_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
[
  Pm  Pm0  4  0.2399  0.2500  0.0599  1
  Cu  Cu1  4  0.1438  0.7500  0.8553  1
  Ni  Ni2  8  0.0671  0.0042  0.3106  1
  Ni  Ni3  4  0.0603  0.7500  0.1000  1
  Ni  Ni4  4  0.1011  0.2500  0.5185  1
  Ni  Ni5  4  0.1833  0.2500  0.7540  1
]