data_[Ce1Pr8Tm6]
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
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.8827]
_cell_length_b [9.8827]
_cell_length_c [5.9624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce(Pr4Tm3)2]
_chemical_formula_sum '[Ce1 Pr8 Tm6]'
_cell_volume [504.3155]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  6  0.0502  0.2688  0.7700  1
  Pr  Pr2  2  0.3333  0.6667  0.7762  1
  Tm  Tm3  6  0.0935  0.4745  0.2575  1
]