data_[Pm22Y18Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [17.0903]
_cell_length_b [25.6702]
_cell_length_c [3.7228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pm11Y9Th4]
_chemical_formula_sum '[Pm22 Y18 Th8]'
_cell_volume [1633.2325]
_cell_formula_units_Z [2]
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  0.2294  0.1814  0.0000  1
  Pm  Pm1  4  0.0000  0.1573  0.0000  1
  Pm  Pm2  4  0.0000  0.3670  0.0000  1
  Pm  Pm3  4  0.2070  0.5000  0.0000  1
  Pm  Pm4  2  0.0000  0.0000  0.0000  1
  Y  Y5  8  0.1014  0.2634  0.5000  1
  Y  Y6  8  0.1397  0.0728  0.5000  1
  Y  Y7  2  0.0000  0.5000  0.5000  1
  Th  Th8  8  0.1559  0.3981  0.5000  1
]