data_[Tb4Nd8Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0775]
_cell_length_b [17.7517]
_cell_length_c [12.1661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbNd2CuSe5]
_chemical_formula_sum '[Tb4 Nd8 Cu4 Se20]'
_cell_volume [880.6119]
_cell_formula_units_Z [4]
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  0.0000  0.1934  0.0105  1.0
  Nd  Nd1  4  0.0000  0.1087  0.6860  1.0
  Nd  Nd2  4  0.0000  0.1218  0.3098  1.0
  Cu  Cu3  4  0.0000  0.4357  0.4545  1.0
  Se  Se4  4  0.0000  0.0423  0.0612  1.0
  Se  Se5  4  0.0000  0.2884  0.6751  1.0
  Se  Se6  4  0.0000  0.3134  0.3455  1.0
  Se  Se7  4  0.0000  0.3570  0.0013  1.0
  Se  Se8  4  0.0000  0.4993  0.7801  1.0
]