data_[Tb2Nd6Sc4Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1772]
_cell_length_b [4.3268]
_cell_length_c [8.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbNd3(ScTe3)2]
_chemical_formula_sum '[Tb2 Nd6 Sc4 Te12]'
_cell_volume [709.6507]
_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  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1614  0.0000  0.8282  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.1662  0.0000  0.3310  1.0
  Te  Te4  4  0.0086  0.0000  0.2476  1.0
  Te  Te5  4  0.1671  0.5000  0.0991  1.0
  Te  Te6  4  0.1730  0.5000  0.5674  1.0
]