data_[Pr24Tm6Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.9208]
_cell_length_b [11.9208]
_cell_length_c [14.2385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Pr4TmSe6]
_chemical_formula_sum '[Pr24 Tm6 Se36]'
_cell_volume [1752.2783]
_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  18  0.0000  0.3842  0.7500  1
  Pr  Pr1  6  0.0000  0.0000  0.2500  1
  Tm  Tm2  6  0.0000  0.0000  0.0000  1
  Se  Se3  36  0.0305  0.2032  0.8878  1
]