data_[Pr12Sc2Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8091]
_cell_length_b [3.6989]
_cell_length_c [12.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6ScZn2]
_chemical_formula_sum '[Pr12 Sc2 Zn4]'
_cell_volume [539.0798]
_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  0.0327  0.0000  0.3223  1
  Pr  Pr1  4  0.1843  0.5000  0.8783  1
  Pr  Pr2  4  0.1877  0.5000  0.5953  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  4  0.1372  0.5000  0.1759  1
]