data_[Pr16Mg2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5790]
_cell_length_b [7.7298]
_cell_length_c [17.1296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr8MgSc2]
_chemical_formula_sum '[Pr16 Mg2 Sc4]'
_cell_volume [738.7030]
_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  8  0.0000  0.2163  0.3623  1
  Pr  Pr1  4  0.0000  0.0000  0.1771  1
  Pr  Pr2  4  0.0000  0.2736  0.0000  1
  Mg  Mg3  2  0.0000  0.5000  0.5000  1
  Sc  Sc4  4  0.0000  0.5000  0.1932  1
]