data_[Ho2Ti1Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6092]
_cell_length_b [3.6092]
_cell_length_c [11.3014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ho2TiCuO6]
_chemical_formula_sum '[Ho2 Ti1 Cu1 O6]'
_cell_volume [127.4901]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2267  1
  Ti  Ti1  1  0.6667  0.3333  0.5000  1
  Cu  Cu2  1  0.3333  0.6667  0.0000  1
  O  O3  2  0.3333  0.6667  0.1679  1
  O  O4  2  0.6667  0.3333  0.6659  1
  O  O5  1  0.0000  0.0000  0.0000  1
  O  O6  1  0.0000  0.0000  0.5000  1
]