data_[Pr6Y12Tm2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1707]
_cell_length_b [10.6894]
_cell_length_c [11.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Y6TmSc2]
_chemical_formula_sum '[Pr6 Y12 Tm2 Sc4]'
_cell_volume [760.5035]
_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  0.1668  0.5000  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Y  Y2  8  0.2480  0.1678  0.2397  1
  Y  Y3  4  0.2444  0.5000  0.2397  1
  Tm  Tm4  2  0.0000  0.0000  0.0000  1
  Sc  Sc5  4  0.0000  0.3333  0.0000  1
]