data_[Pm3Sm36Er18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0399]
_cell_length_b [12.0399]
_cell_length_c [15.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm(Sm2Er)6]
_chemical_formula_sum '[Pm3 Sm36 Er18]'
_cell_volume [1908.8232]
_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
  Sm  Sm1  18  0.0068  0.1764  0.1918  1
  Sm  Sm2  18  0.0456  0.1957  0.4164  1
  Er  Er3  18  0.0131  0.5866  0.6850  1
]