data_[Ce4Pr4Tm12]
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 [Pnma]
_cell_length_a [9.9833]
_cell_length_b [3.5326]
_cell_length_c [17.5703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CePrTm3]
_chemical_formula_sum '[Ce4 Pr4 Tm12]'
_cell_volume [619.6604]
_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
[
  Ce  Ce0  4  0.1182  0.7500  0.5482  1
  Pr  Pr1  4  0.1250  0.7500  0.1484  1
  Tm  Tm2  4  0.1217  0.7500  0.3511  1
  Tm  Tm3  4  0.1274  0.7500  0.7495  1
  Tm  Tm4  4  0.1319  0.7500  0.9505  1
]