data_[Pm1Dy6Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5498]
_cell_length_b [6.7445]
_cell_length_c [6.8236]
_cell_angle_alpha [61.5902]
_cell_angle_beta [78.6879]
_cell_angle_gamma [89.5002]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmDy6Th]
_chemical_formula_sum '[Pm1 Dy6 Th1]'
_cell_volume [258.7261]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.2330  0.5738  0.5188  1
  Dy  Dy2  2  0.2528  0.5428  0.0041  1
  Dy  Dy3  2  0.2710  0.0908  0.4816  1
  Th  Th4  1  0.5000  0.0000  0.0000  1
]