data_[Tb3In12Cu3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1317]
_cell_length_b [8.1317]
_cell_length_c [19.6904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbIn4CuSe8]
_chemical_formula_sum '[Tb3 In12 Cu3 Se24]'
_cell_volume [1127.5748]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0102  1.0
  In  In1  9  0.1752  0.3504  0.8304  1.0
  In  In2  3  0.0000  0.0000  0.6226  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3742  1.0
  Se  Se4  9  0.1693  0.3385  0.0859  1.0
  Se  Se5  9  0.1779  0.3558  0.5791  1.0
  Se  Se6  3  0.0000  0.0000  0.2471  1.0
  Se  Se7  3  0.0000  0.0000  0.7596  1.0
]