data_[Ho4Ti4Cl4O12]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8950]
_cell_length_b [3.8995]
_cell_length_c [9.8277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoTiClO3]
_chemical_formula_sum '[Ho4 Ti4 Cl4 O12]'
_cell_volume [364.1588]
_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  0.2266  0.5000  0.2056  1.0
  Ti  Ti1  4  0.1187  0.0000  0.4284  1.0
  Cl  Cl2  4  0.1147  0.5000  0.9072  1.0
  O  O3  4  0.0761  0.0000  0.6252  1.0
  O  O4  4  0.1518  0.0000  0.2495  1.0
  O  O5  4  0.1698  0.5000  0.4341  1.0
]