data_[Pm20Er12Th8]
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 [10.8820]
_cell_length_b [17.2624]
_cell_length_c [9.0466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pm5Er3Th2]
_chemical_formula_sum '[Pm20 Er12 Th8]'
_cell_volume [1360.8991]
_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  0.2493  0.6148  0.7519  1
  Pm  Pm1  4  0.0000  0.2232  0.2500  1
  Pm  Pm2  4  0.0000  0.2786  0.7500  1
  Pm  Pm3  4  0.0000  0.4699  0.7500  1
  Er  Er4  8  0.1474  0.3785  0.5436  1
  Er  Er5  4  0.0000  0.0350  0.2500  1
  Th  Th6  8  0.1338  0.1214  0.0180  1
]