data_[Pr2Tm2Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3439]
_cell_length_b [10.3043]
_cell_length_c [5.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PrTmSc4]
_chemical_formula_sum '[Pr2 Tm2 Sc8]'
_cell_volume [329.1615]
_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  0.9249  1.0
  Tm  Tm1  2  0.0000  0.0000  0.4259  1.0
  Sc  Sc2  4  0.0000  0.1706  0.9113  1.0
  Sc  Sc3  4  0.0000  0.3284  0.4129  1.0
]