data_[Pr4Ho2Tm12Sc6]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0676]
_cell_length_b [10.4889]
_cell_length_c [11.4844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ho(Tm2Sc)3]
_chemical_formula_sum '[Pr4 Ho2 Tm12 Sc6]'
_cell_volume [719.3657]
_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  0.3333  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  8  0.2462  0.3337  0.7381  1.0
  Tm  Tm3  4  0.2451  0.0000  0.7381  1.0
  Sc  Sc4  4  0.0000  0.1663  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]