data_[Pr9Y9Tm3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2613]
_cell_length_b [8.2613]
_cell_length_c [20.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3Y3TmSe8]
_chemical_formula_sum '[Pr9 Y9 Tm3 Se24]'
_cell_volume [1217.7081]
_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  9  0.0000  0.5000  0.5000  1.0
  Y  Y1  9  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  18  0.0009  0.5004  0.2547  1.0
  Se  Se4  6  0.0000  0.0000  0.2551  1.0
]