data_[Pm4Dy4Th8]
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 [C2/c]
_cell_length_a [8.9365]
_cell_length_b [18.0813]
_cell_length_c [3.5503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmDyTh2]
_chemical_formula_sum '[Pm4 Dy4 Th8]'
_cell_volume [557.0984]
_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  0.2500  0.2500  0.5000  1
  Dy  Dy1  4  0.0000  0.4074  0.7500  1
  Th  Th2  8  0.1598  0.9193  0.1209  1
]