data_[Pr4Tm8Se16]
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 [Cmcm]
_cell_length_a [4.0081]
_cell_length_b [13.3603]
_cell_length_c [13.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr(TmSe2)2]
_chemical_formula_sum '[Pr4 Tm8 Se16]'
_cell_volume [741.4108]
_cell_formula_units_Z [4]
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  4  0.0000  0.3766  0.2500  1.0
  Tm  Tm1  8  0.0000  0.1309  0.0674  1.0
  Se  Se2  8  0.0000  0.2276  0.6176  1.0
  Se  Se3  4  0.0000  0.0434  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]