data_[Pr8Er4Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3547]
_cell_length_b [5.3696]
_cell_length_c [9.7898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ErSc3]
_chemical_formula_sum '[Pr8 Er4 Sc12]'
_cell_volume [718.2001]
_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  0.0130  0.5000  0.8347  1.0
  Pr  Pr1  4  0.2205  0.0000  0.8611  1.0
  Er  Er2  4  0.1321  0.0000  0.1499  1.0
  Sc  Sc3  4  0.0252  0.0000  0.3747  1.0
  Sc  Sc4  4  0.1168  0.5000  0.5963  1.0
  Sc  Sc5  4  0.2420  0.5000  0.4264  1.0
]