data_[Tb10Er4Sc10]
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 [C2/m]
_cell_length_a [14.4787]
_cell_length_b [4.8349]
_cell_length_c [10.8492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Er2Sc5]
_chemical_formula_sum '[Tb10 Er4 Sc10]'
_cell_volume [680.0744]
_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  0.0871  0.5000  0.2519  1.0
  Tb  Tb1  4  0.1646  0.5000  0.0000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  4  0.0835  0.0000  0.7456  1.0
  Sc  Sc4  4  0.1709  0.0000  0.5023  1.0
  Sc  Sc5  4  0.2494  0.5000  0.7453  1.0
  Sc  Sc6  2  0.0000  0.0000  0.0000  1.0
]