data_[Pr6Ho3Tm3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3564]
_cell_length_b [7.3564]
_cell_length_c [19.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pr2HoTmSe6]
_chemical_formula_sum '[Pr6 Ho3 Tm3 Se18]'
_cell_volume [911.1887]
_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  0.0212  1.0
  Pr  Pr1  3  0.0000  0.0000  0.5216  1.0
  Ho  Ho2  3  0.0000  0.0000  0.8190  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3195  1.0
  Se  Se4  9  0.0183  0.3802  0.5803  1.0
  Se  Se5  9  0.0215  0.6401  0.0799  1.0
]