data_[Pr2Er12Tm4Sc6]
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 [6.0103]
_cell_length_b [10.3958]
_cell_length_c [11.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrEr6Tm2Sc3]
_chemical_formula_sum '[Pr2 Er12 Tm4 Sc6]'
_cell_volume [702.1602]
_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  1.0
  Er  Er1  8  0.2465  0.3330  0.7403  1.0
  Er  Er2  4  0.2475  0.0000  0.7403  1.0
  Tm  Tm3  4  0.0000  0.3334  0.0000  1.0
  Sc  Sc4  4  0.0000  0.1670  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]