data_HoTiClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   9.9
_cell_angle_alpha   105.65
_cell_angle_beta   105.65
_cell_angle_gamma   43.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTiClO3
_chemical_formula_sum   'Ho2 Ti2 Cl2 O6'
_cell_volume   181.89
_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  1  0.49  0.0  0.95  1.0
  Ho  Ho1  1  0.45  0.0  0.52  1.0
  Ti  Ti2  1  0.93  0.0  0.08  1.0
  Ti  Ti3  1  0.02  0.0  0.4  1.0
  Cl  Cl4  1  0.51  0.0  0.89  1.0
  Cl  Cl5  1  0.44  0.0  0.58  1.0
  O  O6  1  0.76  0.0  0.4  1.0
  O  O7  1  0.18  0.0  0.08  1.0
  O  O8  1  0.65  0.0  0.35  1.0
  O  O9  1  0.3  0.0  0.13  1.0
  O  O10  1  0.98  0.0  0.92  1.0
  O  O11  1  0.97  0.0  0.55  1.0

data_HoTiClO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   5.29
_cell_length_c   9.89
_cell_angle_alpha   74.67
_cell_angle_beta   78.6
_cell_angle_gamma   68.31
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoTiClO3
_chemical_formula_sum   'Ho2 Ti2 Cl2 O6'
_cell_volume   181.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.31  0.71  1.0
  Ti  Ti1  2  0.0  0.39  0.16  1.0
  Cl  Cl2  2  0.0  0.38  0.65  1.0
  O  O3  2  0.0  0.06  0.11  1.0
  O  O4  2  0.0  0.13  0.16  1.0
  O  O5  2  0.0  0.18  0.32  1.0

Ho Ho Ti Ti Cl Cl O O O O O O