data_[Pm16Ni4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.9259]
_cell_length_b [6.9259]
_cell_length_c [13.0300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pm4NiRu]
_chemical_formula_sum '[Pm16 Ni4 Ru4]'
_cell_volume [625.0296]
_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  16  0.1843  0.3157  0.1279  1
  Ni  Ni1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.0000  0.0000  0.2500  1
]