data_[Pr2Y4Ho2Sc4]
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 [Pnnm]
_cell_length_a [6.8147]
_cell_length_b [9.6207]
_cell_length_c [5.5424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [PrY2HoSc2]
_chemical_formula_sum '[Pr2 Y4 Ho2 Sc4]'
_cell_volume [363.3742]
_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  0.0000  0.0000  1.0
  Y  Y1  4  0.2471  0.3330  0.0000  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.2496  0.1663  0.5000  1.0
]