data_[Pr3Nd36Tm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.4448]
_cell_length_b [13.4448]
_cell_length_c [12.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrNd12Tm7]
_chemical_formula_sum '[Pr3 Nd36 Tm21]'
_cell_volume [2032.8246]
_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  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  18  0.0000  0.2637  0.5000  1.0
  Nd  Nd2  18  0.0892  0.1783  0.2691  1.0
  Tm  Tm3  18  0.0407  0.5203  0.6201  1.0
  Tm  Tm4  3  0.0000  0.0000  0.5000  1.0
]