data_[Pr6Ho6Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0307]
_cell_length_b [5.0621]
_cell_length_c [19.6618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Ho3Sc2]
_chemical_formula_sum '[Pr6 Ho6 Sc4]'
_cell_volume [500.7012]
_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  4  0.0000  0.0000  0.1317  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  4  0.0000  0.0000  0.3680  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc4  4  0.0000  0.5000  0.2493  1.0
]