data_[Tb10Er12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.1803]
_cell_length_b [20.0413]
_cell_length_c [3.5364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tb5(Er3Sc)2]
_chemical_formula_sum '[Tb10 Er12 Sc4]'
_cell_volume [792.3927]
_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  4  0.0621  0.9222  0.5000  1
  Tb  Tb1  4  0.1453  0.2206  0.5000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.0807  0.6547  0.5000  1
  Er  Er4  4  0.1661  0.3833  0.0000  1
  Er  Er5  4  0.2196  0.0553  0.0000  1
  Sc  Sc6  4  0.1141  0.7862  0.0000  1
]