data_[Tb4Pr2Y4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.9210]
_cell_length_b [5.6228]
_cell_length_c [9.6506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Tb2PrY2Sc]
_chemical_formula_sum '[Tb4 Pr2 Y4 Sc2]'
_cell_volume [375.5496]
_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
[
  Tb  Tb0  2  0.2500  0.0000  0.8297  1.0
  Tb  Tb1  2  0.2500  0.5000  0.3341  1.0
  Pr  Pr2  2  0.0000  0.0000  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.0000  1.0
  Y  Y4  2  0.2500  0.0000  0.1621  1.0
  Sc  Sc5  2  0.2500  0.5000  0.6693  1.0
]