data_[Ho9Cu27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1389]
_cell_length_b [5.1389]
_cell_length_c [24.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoCu3]
_chemical_formula_sum '[Ho9 Cu27]'
_cell_volume [571.4376]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.1406  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  18  0.0004  0.5002  0.9177  1.0
  Cu  Cu3  6  0.0000  0.0000  0.3322  1.0
  Cu  Cu4  3  -0.0000  -0.0000  0.5000  1.0
]