data_[Pr2Ho12Tm6Sc4]
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 [6.0380]
_cell_length_b [10.4489]
_cell_length_c [11.5719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHo6Tm3Sc2]
_chemical_formula_sum '[Pr2 Ho12 Tm6 Sc4]'
_cell_volume [719.0705]
_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
  Ho  Ho1  8  0.2483  0.3320  0.7514  1
  Ho  Ho2  4  0.2472  0.5000  0.2485  1
  Tm  Tm3  4  0.0000  0.1673  0.5000  1
  Tm  Tm4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  4  0.0000  0.3333  0.0000  1
]