data_[Pm4Nd12Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3930]
_cell_length_b [11.2582]
_cell_length_c [10.0306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmNd3Er5]
_chemical_formula_sum '[Pm4 Nd12 Er20]'
_cell_volume [1320.5534]
_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  4  0.2467  0.0000  0.0903  1
  Nd  Nd1  4  0.0086  0.5000  0.2107  1
  Nd  Nd2  4  0.0258  0.0000  0.6863  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Nd  Nd4  2  0.0000  0.5000  0.5000  1
  Er  Er5  8  0.1566  0.2484  0.5598  1
  Er  Er6  4  0.0000  0.2594  0.0000  1
  Er  Er7  4  0.2148  0.5000  0.2078  1
  Er  Er8  4  0.2231  0.0000  0.4091  1
]