data_[Pr9Tm6Se18]
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-3m]
_cell_length_a [4.1590]
_cell_length_b [4.1590]
_cell_length_c [62.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3(TmSe3)2]
_chemical_formula_sum '[Pr9 Tm6 Se18]'
_cell_volume [943.4891]
_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  0.2769  1
  Pr  Pr1  3  0.0000  0.0000  0.0000  1
  Tm  Tm2  6  0.0000  0.0000  0.4484  1
  Se  Se3  6  0.0000  0.0000  0.0865  1
  Se  Se4  6  0.0000  0.0000  0.1972  1
  Se  Se5  6  0.0000  0.0000  0.3619  1
]