data_[Pm9Sc3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0806]
_cell_length_b [5.0806]
_cell_length_c [24.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pm3ScNi8]
_chemical_formula_sum '[Pm9 Sc3 Ni24]'
_cell_volume [558.6747]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3762  1
  Pm  Pm1  3  0.0000  0.0000  0.5023  1
  Pm  Pm2  3  0.0000  0.0000  0.9970  1
  Sc  Sc3  3  0.0000  0.0000  0.8733  1
  Ni  Ni4  9  0.0000  0.5000  0.9355  1
  Ni  Ni5  9  0.0031  0.5016  0.4396  1
  Ni  Ni6  3  0.0000  0.0000  0.1881  1
  Ni  Ni7  3  0.0000  0.0000  0.6876  1
]