data_[Pm12Ho6Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6189]
_cell_length_b [3.6189]
_cell_length_c [61.5217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pm4Ho2Th]
_chemical_formula_sum '[Pm12 Ho6 Th3]'
_cell_volume [697.7656]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0921  1
  Pm  Pm1  3  0.0000  0.0000  0.4750  1
  Pm  Pm2  3  0.0000  0.0000  0.5707  1
  Pm  Pm3  3  0.0000  0.0000  0.9985  1
  Ho  Ho4  3  0.0000  0.0000  0.2847  1
  Ho  Ho5  3  0.0000  0.0000  0.3789  1
  Th  Th6  3  0.0000  0.0000  0.1893  1
]