data_[Ho8Tm4Cu4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9633]
_cell_length_b [17.3194]
_cell_length_c [11.9561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho2TmCuSe5]
_chemical_formula_sum '[Ho8 Tm4 Cu4 Se20]'
_cell_volume [820.6807]
_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  0.1079  0.6844  1
  Ho  Ho1  4  0.0000  0.1224  0.3057  1
  Tm  Tm2  4  0.0000  0.1926  0.0101  1
  Cu  Cu3  4  0.0000  0.4357  0.4570  1
  Se  Se4  4  0.0000  0.0415  0.0670  1
  Se  Se5  4  0.0000  0.2875  0.6754  1
  Se  Se6  4  0.0000  0.3137  0.3427  1
  Se  Se7  4  0.0000  0.3568  0.0005  1
  Se  Se8  4  0.0000  0.4982  0.7812  1
]