data_[Tb8Nd2Er4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [7.0591]
_cell_length_b [7.0888]
_cell_length_c [9.9069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tb4NdEr2Sc]
_chemical_formula_sum '[Tb8 Nd2 Er4 Sc2]'
_cell_volume [495.7505]
_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  8  0.2485  0.2527  0.2481  1.0
  Nd  Nd1  1  0.5000  0.0000  0.5000  1.0
  Nd  Nd2  1  0.5000  0.5000  0.5000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  Er  Er4  1  0.0000  0.0000  0.5000  1.0
  Er  Er5  1  0.0000  0.5000  0.0000  1.0
  Er  Er6  1  0.5000  0.0000  0.0000  1.0
  Sc  Sc7  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc8  1  0.5000  0.5000  0.0000  1.0
]