data_[Pr18Sm3Tm36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.0667]
_cell_length_b [11.0667]
_cell_length_c [17.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr6SmTm12]
_chemical_formula_sum '[Pr18 Sm3 Tm36]'
_cell_volume [1852.2502]
_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
[
  Pr  Pr0  18  0.0678  0.5339  0.7665  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  Tm  Tm2  18  0.1046  0.5523  0.4142  1
  Tm  Tm3  18  0.1059  0.2119  0.4076  1
]