data_HoCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   56.57
_cell_angle_beta   56.57
_cell_angle_gamma   56.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCuO3
_chemical_formula_sum   'Ho2 Cu2 O6'
_cell_volume   117.12
_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  Ho2  1  0.0  0.0  0.2  1.0
  Ho  Ho3  1  0.0  0.0  0.97  1.0
  Cu  Cu0  1  0.0  0.0  0.22  1.0
  Cu  Cu1  1  0.0  0.0  0.96  1.0
  O  O4  1  0.9  0.3  0.97  1.0
  O  O5  1  0.02  0.89  0.97  1.0
  O  O6  1  0.08  0.81  0.97  1.0
  O  O7  1  0.92  0.19  0.2  1.0
  O  O8  1  0.98  0.11  0.2  1.0
  O  O9  1  0.1  0.7  0.2  1.0

data_HoCuO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.65
_cell_angle_alpha   61.71
_cell_angle_beta   61.71
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoCuO3
_chemical_formula_sum   'Ho2 Cu2 O6'
_cell_volume   117.12
_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  0.39  0.11  1.0
  Cu  Cu1  2  0.0  0.37  0.13  1.0
  O  O2  2  0.11  0.61  0.8  1.0
  O  O3  2  0.19  0.61  0.77  1.0
  O  O4  2  0.3  0.39  0.92  1.0

Ho Ho Cu Cu O O O O O O