data_[Pr12Er2Tm4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  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 [10.2900]
_cell_length_b [7.6052]
_cell_length_c [8.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6ErTm2Sc]
_chemical_formula_sum '[Pr12 Er2 Tm4 Sc2]'
_cell_volume [682.1243]
_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  8  0.1347  0.2171  0.7869  1
  Pr  Pr1  4  0.1574  0.5000  0.4433  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Tm  Tm3  4  0.1279  0.0000  0.1420  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]