data_[Pr8Tm4]
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 [13.3021]
_cell_length_b [3.6971]
_cell_length_c [8.6590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Tm]
_chemical_formula_sum '[Pr8 Tm4]'
_cell_volume [412.7301]
_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
[
  Pr  Pr0  4  0.0307  0.0000  0.2920  1.0
  Pr  Pr1  4  0.1926  0.5000  0.6409  1.0
  Tm  Tm2  4  0.1415  0.5000  0.0238  1.0
]