data_[Ce2Pr4Tm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [C2/m]
_cell_length_a [18.3941]
_cell_length_b [4.0780]
_cell_length_c [8.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePr2(TmSe2)3]
_chemical_formula_sum '[Ce2 Pr4 Tm6 Se12]'
_cell_volume [609.9244]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1660  0.0000  0.3319  1.0
  Tm  Tm2  4  0.1678  0.0000  0.8355  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0056  0.0000  0.7400  1.0
  Se  Se5  4  0.1616  0.5000  0.5973  1.0
  Se  Se6  4  0.1706  0.5000  0.0700  1.0
]