data_UCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.81
_cell_length_c   7.6
_cell_angle_alpha   79.69
_cell_angle_beta   85.35
_cell_angle_gamma   83.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCuO6
_chemical_formula_sum   'U2 Cu2 O12'
_cell_volume   229.14
_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
  U  U0  1  0.38  0.16  0.21  1.0
  U  U1  1  0.19  0.91  0.25  1.0
  Cu  Cu2  1  0.94  0.93  0.75  1.0
  Cu  Cu3  1  0.63  0.15  0.71  1.0
  O  O4  1  0.9  0.79  0.02  1.0
  O  O5  1  0.67  0.29  0.44  1.0
  O  O6  1  0.35  0.38  0.27  1.0
  O  O7  1  0.22  0.69  0.19  1.0
  O  O8  1  0.48  0.54  0.74  1.0
  O  O9  1  0.08  0.53  0.72  1.0
  O  O10  1  0.34  0.01  0.07  1.0
  O  O11  1  0.22  0.07  0.39  1.0
  O  O12  1  0.71  0.77  0.83  1.0
  O  O13  1  0.86  0.3  0.63  1.0
  O  O14  1  0.33  0.59  0.39  1.0
  O  O15  1  0.24  0.49  0.07  1.0

data_UCuO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.32
_cell_length_b   5.81
_cell_length_c   7.6
_cell_angle_alpha   79.69
_cell_angle_beta   85.35
_cell_angle_gamma   83.78
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UCuO6
_chemical_formula_sum   'U2 Cu2 O12'
_cell_volume   229.14
_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
  U  U0  2  0.09  0.12  0.98  1.0
  Cu  Cu1  2  0.34  0.11  0.48  1.0
  O  O2  2  0.05  0.55  0.16  1.0
  O  O3  2  0.06  0.97  0.84  1.0
  O  O4  2  0.06  0.35  0.04  1.0
  O  O5  2  0.2  0.5  0.51  1.0
  O  O6  2  0.38  0.25  0.21  1.0
  O  O7  2  0.43  0.74  0.6  1.0

U U Cu Cu O O O O O O O O O O O O