data_[Pm21Pr3Sm36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0462]
_cell_length_b [13.0462]
_cell_length_c [14.1350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm7PrSm12]
_chemical_formula_sum '[Pm21 Pr3 Sm36]'
_cell_volume [2083.4880]
_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  0.0665  0.2020  0.8498  1
  Pr  Pr1  3  0.0000  0.0000  0.0000  1
  Pm  Pm2  3  0.0000  0.0000  0.5000  1
  Sm  Sm3  18  0.0030  0.5690  0.2471  1
  Sm  Sm4  18  0.0670  0.8681  0.3436  1
]