data_[Pr2Sm4Ho2Sc2]
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 [Pmma]
_cell_length_a [6.2003]
_cell_length_b [7.8199]
_cell_length_c [6.7049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrSm2HoSc]
_chemical_formula_sum '[Pr2 Sm4 Ho2 Sc2]'
_cell_volume [325.0938]
_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  0.2500  0.5000  0.8075  1
  Sm  Sm1  4  0.2500  0.2887  0.2858  1
  Ho  Ho2  2  0.2500  0.0000  0.6022  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
]