data_[Pm18Er36Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8581]
_cell_length_b [11.8581]
_cell_length_c [14.9677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm6Er12Mg]
_chemical_formula_sum '[Pm18 Er36 Mg3]'
_cell_volume [1822.7230]
_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  0.0131  0.4226  0.6831  1
  Er  Er1  18  0.0033  0.8285  0.1885  1
  Er  Er2  18  0.0458  0.8530  0.4156  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
]