data_[Pm3Zn36Ni18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.9017]
_cell_length_b [10.9017]
_cell_length_c [8.3660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm(Zn2Ni)6]
_chemical_formula_sum '[Pm3 Zn36 Ni18]'
_cell_volume [861.0698]
_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  0.0000  1
  Zn  Zn1  18  0.0000  0.3850  0.5000  1
  Zn  Zn2  18  0.0872  0.1743  0.3161  1
  Ni  Ni3  18  0.0516  0.5258  0.2502  1
]