data_[Pm36Dy3Sn21]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [15.6629]
_cell_length_b [15.6629]
_cell_length_c [8.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm12DySn7]
_chemical_formula_sum '[Pm36 Dy3 Sn21]'
_cell_volume [1889.1079]
_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  18  0.0000  0.2738  0.0000  1
  Pm  Pm1  18  0.1106  0.8894  0.3842  1
  Dy  Dy2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.1027  0.2054  0.7609  1
  Sn  Sn4  3  0.0000  0.0000  0.5000  1
]