data_[Pm4Nd4Ho12Th4]
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
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8230]
_cell_length_b [5.6266]
_cell_length_c [7.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmNdHo3Th]
_chemical_formula_sum '[Pm4 Nd4 Ho12 Th4]'
_cell_volume [786.6966]
_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  0.1484  0.5000  0.0368  1
  Nd  Nd1  4  0.1465  0.5000  0.4591  1
  Ho  Ho2  4  0.0233  0.5000  0.7519  1
  Ho  Ho3  4  0.1578  0.0000  0.7530  1
  Ho  Ho4  4  0.2212  0.0000  0.2529  1
  Th  Th5  4  0.0544  0.0000  0.2386  1
]