data_[Pr4Tm12Sc4]
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 [P2_1/c]
_cell_length_a [9.0515]
_cell_length_b [6.1446]
_cell_length_c [12.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrTm3Sc]
_chemical_formula_sum '[Pr4 Tm12 Sc4]'
_cell_volume [609.1872]
_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  0.1492  0.6729  0.5974  1.0
  Tm  Tm1  4  0.0536  0.1621  0.7050  1.0
  Tm  Tm2  4  0.3559  0.6690  0.4041  1.0
  Tm  Tm3  4  0.4478  0.1636  0.2979  1.0
  Sc  Sc4  4  0.2557  0.1651  0.4995  1.0
]