data_[Pr14Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6060]
_cell_length_b [5.1708]
_cell_length_c [7.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr7Tm3]
_chemical_formula_sum '[Pr14 Tm6]'
_cell_volume [684.5187]
_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  4  0.0994  0.5000  0.7990  1
  Pr  Pr1  4  0.1017  0.5000  0.3026  1
  Pr  Pr2  4  0.2002  0.0000  0.1012  1
  Pr  Pr3  2  0.0000  0.0000  0.5000  1
  Tm  Tm4  4  0.2015  0.0000  0.6000  1
  Tm  Tm5  2  0.0000  0.0000  0.0000  1
]