data_[Pm4Er20Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.1178]
_cell_length_b [17.4991]
_cell_length_c [8.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmEr5Th]
_chemical_formula_sum '[Pm4 Er20 Th4]'
_cell_volume [900.2137]
_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  0.0000  0.4874  0.2500  1
  Er  Er1  8  0.1181  0.6581  0.4600  1
  Er  Er2  8  0.2030  0.1872  0.6459  1
  Er  Er3  4  0.0000  0.1483  0.2500  1
  Th  Th4  4  0.0000  0.0000  0.0000  1
]