data_[Tb4Cu2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0529]
_cell_length_b [5.7935]
_cell_length_c [8.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2CuSe4]
_chemical_formula_sum '[Tb4 Cu2 Se8]'
_cell_volume [317.7510]
_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  0.2275  0.2500  0.9308  1
  Tb  Tb1  2  0.2409  0.2500  0.4348  1
  Cu  Cu2  2  0.2347  0.7500  0.1828  1
  Se  Se3  4  0.4849  0.5089  0.7469  1
  Se  Se4  2  0.0701  0.7500  0.8839  1
  Se  Se5  2  0.0721  0.7500  0.4014  1
]