data_[Pr2Sm2Ho4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2714]
_cell_length_b [5.6389]
_cell_length_c [9.5443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrSmHo2Sc]
_chemical_formula_sum '[Pr2 Sm2 Ho4 Sc2]'
_cell_volume [318.8820]
_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  0.2667  0.2500  0.6929  1.0
  Sm  Sm1  2  0.1338  0.7500  0.1015  1.0
  Ho  Ho2  2  0.0728  0.2500  0.3091  1.0
  Ho  Ho3  2  0.4660  0.2500  0.1026  1.0
  Sc  Sc4  2  0.3459  0.7500  0.4990  1.0
]