data_[Pr2Sm4Tm16]
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 [C2/m]
_cell_length_a [18.0182]
_cell_length_b [5.0021]
_cell_length_c [7.9008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(SmTm4)2]
_chemical_formula_sum '[Pr2 Sm4 Tm16]'
_cell_volume [687.0762]
_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  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.2277  0.0000  0.6370  1
  Tm  Tm2  4  0.0450  0.0000  0.7257  1
  Tm  Tm3  4  0.0903  0.5000  0.4562  1
  Tm  Tm4  4  0.1367  0.0000  0.1811  1
  Tm  Tm5  4  0.1818  0.5000  0.9076  1
]