data_[Pr2Y2Ho4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [7.0023]
_cell_length_b [7.0045]
_cell_length_c [9.3414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PrY(HoSc2)2]
_chemical_formula_sum '[Pr2 Y2 Ho4 Sc8]'
_cell_volume [458.1743]
_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  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.5000  0.5000  1.0
  Y  Y2  1  0.0000  0.5000  0.0000  1.0
  Y  Y3  1  0.5000  0.5000  0.5000  1.0
  Ho  Ho4  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho5  1  0.5000  0.0000  0.0000  1.0
  Ho  Ho6  1  0.5000  0.0000  0.5000  1.0
  Ho  Ho7  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc8  8  0.2533  0.2489  0.2475  1.0
]