data_[Ho8Er4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [3.9752]
_cell_length_b [17.4130]
_cell_length_c [11.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho2ErCuSe5]
_chemical_formula_sum '[Ho8 Er4 Cu4 Se20]'
_cell_volume [829.4150]
_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
[
  Ho  Ho0  4  0.0000  0.3781  0.8059  1.0
  Ho  Ho1  4  0.0000  0.3923  0.1842  1.0
  Er  Er2  4  0.0000  0.3074  0.5101  1.0
  Cu  Cu3  4  0.0000  0.0642  0.9569  1.0
  Se  Se4  4  0.0000  0.0019  0.2811  1.0
  Se  Se5  4  0.0000  0.1428  0.5006  1.0
  Se  Se6  4  0.0000  0.1854  0.8419  1.0
  Se  Se7  4  0.0000  0.2121  0.1765  1.0
  Se  Se8  4  0.0000  0.4587  0.5669  1.0
]