data_[Ho4Ti2Ni2O12]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5550]
_cell_length_b [5.4409]
_cell_length_c [5.4045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ho2TiNiO6]
_chemical_formula_sum '[Ho4 Ti2 Ni2 O12]'
_cell_volume [232.2179]
_cell_formula_units_Z [2]
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  0.2491  0.9773  0.7784  1.0
  Ti  Ti1  2  0.0000  1.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.4980  0.5000  1.0
  O  O3  4  0.0689  0.7464  0.8340  1.0
  O  O4  4  0.0713  0.2400  0.8180  1.0
  O  O5  4  0.2359  0.0374  0.3591  1.0
]