data_[Pr4Tm8]
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 [15.4576]
_cell_length_b [3.5925]
_cell_length_c [7.1727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTm2]
_chemical_formula_sum '[Pr4 Tm8]'
_cell_volume [386.8123]
_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  0.1666  0.0000  0.0847  1.0
  Tm  Tm1  4  0.0004  0.5000  0.2547  1.0
  Tm  Tm2  4  0.1656  0.0000  0.5814  1.0
]