data_[Pr6Y18Tm18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.6351]
_cell_length_b [8.6351]
_cell_length_c [21.7022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr(YTm)3]
_chemical_formula_sum '[Pr6 Y18 Tm18]'
_cell_volume [1401.4330]
_cell_formula_units_Z [6]
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  0.3500  1
  Y  Y1  18  0.0562  0.4490  0.8798  1
  Tm  Tm2  18  0.0061  0.2309  0.0587  1
]