data_[Pr2Er6Sc8]
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 [Pmn2_1]
_cell_length_a [10.8517]
_cell_length_b [6.9970]
_cell_length_c [6.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrEr3Sc4]
_chemical_formula_sum '[Pr2 Er6 Sc8]'
_cell_volume [457.3058]
_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  2  0.0000  0.3655  0.1424  1.0
  Er  Er1  4  0.2494  0.6355  0.9872  1.0
  Er  Er2  2  0.0000  0.6346  0.6402  1.0
  Sc  Sc3  4  0.2472  0.8841  0.4786  1.0
  Sc  Sc4  2  0.0000  0.1142  0.6504  1.0
  Sc  Sc5  2  0.0000  0.8841  0.1506  1.0
]