data_[Pm8Dy12Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5658]
_cell_length_b [15.7911]
_cell_length_c [9.3851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pm2Dy3Er5]
_chemical_formula_sum '[Pm8 Dy12 Er20]'
_cell_volume [1296.0783]
_cell_formula_units_Z [4]
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  8  0.1417  0.1282  0.0467  1
  Dy  Dy1  8  0.1570  0.3774  0.5501  1
  Dy  Dy2  4  0.0000  0.0207  0.2500  1
  Er  Er3  8  0.2327  0.6224  0.7207  1
  Er  Er4  4  0.0000  0.2305  0.2500  1
  Er  Er5  4  0.0000  0.2746  0.7500  1
  Er  Er6  4  0.0000  0.4739  0.7500  1
]