data_[Pr4Er8Sc1]
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 [Pm-3m]
_cell_length_a [7.7479]
_cell_length_b [7.7479]
_cell_length_c [7.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Pr4Er8Sc]
_chemical_formula_sum '[Pr4 Er8 Sc1]'
_cell_volume [465.1053]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.5000  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Er  Er2  8  0.2425  0.7575  0.2425  1
  Sc  Sc3  1  0.5000  0.5000  0.5000  1
]