data_[Pr4Tm14Sc4]
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 [Imm2]
_cell_length_a [3.5221]
_cell_length_b [17.0540]
_cell_length_c [11.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pr2Tm7Sc2]
_chemical_formula_sum '[Pr4 Tm14 Sc4]'
_cell_volume [689.1258]
_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  0.0000  0.2918  0.4000  1
  Tm  Tm1  4  0.0000  0.1636  0.6495  1
  Tm  Tm2  4  0.0000  0.1661  0.1545  1
  Tm  Tm3  4  0.0000  0.3906  0.9128  1
  Tm  Tm4  2  0.0000  0.5000  0.4921  1
  Sc  Sc5  2  0.0000  0.0000  0.2381  1
  Sc  Sc6  2  0.0000  0.5000  0.1822  1
]