data_[Tb4Ho8Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  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 [3.9722]
_cell_length_b [17.5663]
_cell_length_c [11.9286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbHo2CuSe5]
_chemical_formula_sum '[Tb4 Ho8 Cu4 Se20]'
_cell_volume [832.3423]
_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  0.1927  0.0100  1.0
  Ho  Ho1  4  0.0000  0.1066  0.6835  1.0
  Ho  Ho2  4  0.0000  0.1198  0.3063  1.0
  Cu  Cu3  4  0.0000  0.4361  0.4565  1.0
  Se  Se4  4  0.0000  0.0406  0.0668  1.0
  Se  Se5  4  0.0000  0.2892  0.6804  1.0
  Se  Se6  4  0.0000  0.3177  0.3392  1.0
  Se  Se7  4  0.0000  0.3580  0.0007  1.0
  Se  Se8  4  0.0000  0.4979  0.7806  1.0
]