data_[Pr4Y8Ho4Sc16]
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 [C2/m]
_cell_length_a [11.9951]
_cell_length_b [6.9336]
_cell_length_c [11.7622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY2HoSc4]
_chemical_formula_sum '[Pr4 Y8 Ho4 Sc16]'
_cell_volume [920.1983]
_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  0.2500  0.2500  0.0000  1.0
  Y  Y1  4  0.2500  0.2500  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.5000  1.0
  Ho  Ho4  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho5  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc6  8  0.0008  0.2510  0.2515  1.0
  Sc  Sc7  4  0.2488  0.5000  0.7478  1.0
  Sc  Sc8  4  0.2498  0.5000  0.2507  1.0
]