data_[Pr18Sm9Tm6]
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 [3.6532]
_cell_length_b [3.6532]
_cell_length_c [98.0041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr6Sm3Tm2]
_chemical_formula_sum '[Pr18 Sm9 Tm6]'
_cell_volume [1132.7286]
_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  6  0.0000  0.0000  0.0917  1
  Pr  Pr1  6  0.0000  0.0000  0.1824  1
  Pr  Pr2  6  0.0000  0.0000  0.3639  1
  Sm  Sm3  6  0.0000  0.0000  0.2723  1
  Sm  Sm4  3  0.0000  0.0000  0.0000  1
  Tm  Tm5  6  0.0000  0.0000  0.4546  1
]