data_[Pr12Sm4Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7786]
_cell_length_b [4.7786]
_cell_length_c [34.4228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pr6Sm2Tm3]
_chemical_formula_sum '[Pr12 Sm4 Tm6]'
_cell_volume [786.0419]
_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
[
  Pr  Pr0  8  0.0000  0.5000  0.1209  1
  Pr  Pr1  4  0.0000  0.0000  0.2926  1
  Sm  Sm2  4  0.0000  0.0000  0.4553  1
  Tm  Tm3  4  0.0000  0.0000  0.1932  1
  Tm  Tm4  2  0.0000  0.0000  0.0000  1
]