data_[Pm12Y8Er20]
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 [C2/c]
_cell_length_a [10.6774]
_cell_length_b [15.7355]
_cell_length_c [9.4677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pm3Y2Er5]
_chemical_formula_sum '[Pm12 Y8 Er20]'
_cell_volume [1316.3659]
_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  0.1462  0.3761  0.5476  1
  Pm  Pm1  4  0.0000  0.2673  0.7500  1
  Y  Y2  8  0.1514  0.1186  0.0478  1
  Er  Er3  8  0.2419  0.1145  0.7341  1
  Er  Er4  4  0.0000  0.0286  0.2500  1
  Er  Er5  4  0.0000  0.2294  0.2500  1
  Er  Er6  4  0.0000  0.4754  0.7500  1
]