data_[Tb4Er8Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  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 [3.9514]
_cell_length_b [17.5423]
_cell_length_c [11.8779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbEr2CuSe5]
_chemical_formula_sum '[Tb4 Er8 Cu4 Se20]'
_cell_volume [823.3373]
_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  0.1924  0.0100  1.0
  Er  Er1  4  0.0000  0.1060  0.6830  1.0
  Er  Er2  4  0.0000  0.1192  0.3055  1.0
  Cu  Cu3  4  0.0000  0.4360  0.4567  1.0
  Se  Se4  4  0.0000  0.0406  0.0671  1.0
  Se  Se5  4  0.0000  0.2897  0.6811  1.0
  Se  Se6  4  0.0000  0.3186  0.3387  1.0
  Se  Se7  4  0.0000  0.3578  0.0009  1.0
  Se  Se8  4  0.0000  0.4978  0.7810  1.0
]