data_[Pm36Y18Er3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.2452]
_cell_length_b [13.2452]
_cell_length_c [13.0039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm12Y6Er]
_chemical_formula_sum '[Pm36 Y18 Er3]'
_cell_volume [1975.7079]
_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  18  0.0000  0.2624  0.0000  1
  Pm  Pm1  18  0.0540  0.5270  0.1133  1
  Y  Y2  18  0.0894  0.1788  0.7710  1
  Er  Er3  3  0.0000  0.0000  0.0000  1
]