data_[Ho8Er4Cu4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8190]
_cell_length_b [16.6775]
_cell_length_c [11.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho2ErCuS5]
_chemical_formula_sum '[Ho8 Er4 Cu4 S20]'
_cell_volume [727.7875]
_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  0.1063  0.6842  1.0
  Ho  Ho1  4  0.0000  0.1203  0.3069  1.0
  Er  Er2  4  0.0000  0.1944  0.0100  1.0
  Cu  Cu3  4  0.0000  0.4419  0.4561  1.0
  S  S4  4  0.0000  0.0424  0.0652  1.0
  S  S5  4  0.0000  0.2892  0.6773  1.0
  S  S6  4  0.0000  0.3171  0.3440  1.0
  S  S7  4  0.0000  0.3578  0.0014  1.0
  S  S8  4  0.0000  0.4973  0.7788  1.0
]