data_[Ho4Tm8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  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 [3.7907]
_cell_length_b [16.7326]
_cell_length_c [11.3242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoTm2CuS5]
_chemical_formula_sum '[Ho4 Tm8 Cu4 S20]'
_cell_volume [718.2838]
_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  0.1944  0.0098  1.0
  Tm  Tm1  4  0.0000  0.1048  0.6833  1.0
  Tm  Tm2  4  0.0000  0.1185  0.3059  1.0
  Cu  Cu3  4  0.0000  0.4416  0.4562  1.0
  S  S4  4  0.0000  0.0420  0.0666  1.0
  S  S5  4  0.0000  0.2904  0.6805  1.0
  S  S6  4  0.0000  0.3200  0.3412  1.0
  S  S7  4  0.0000  0.3582  0.0016  1.0
  S  S8  4  0.0000  0.4969  0.7787  1.0
]