data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.53
_cell_length_c   7.47
_cell_angle_alpha   102.99
_cell_angle_beta   107.25
_cell_angle_gamma   97.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Mo2(HO5)2
_chemical_formula_sum   'Cu3 Mo2 H2 O10'
_cell_volume   196.12
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.34  0.85  0.31  1.0
  Cu  Cu1  1  0.93  0.65  0.54  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.76  0.58  0.12  1.0
  Mo  Mo6  1  0.51  0.91  0.73  1.0
  H  H3  1  0.17  0.39  0.95  1.0
  H  H4  1  0.1  0.1  0.9  1.0
  O  O7  1  0.98  0.6  0.41  1.0
  O  O8  1  0.22  0.88  0.09  1.0
  O  O9  1  0.51  0.66  0.69  1.0
  O  O10  1  0.07  0.23  0.88  1.0
  O  O11  1  0.65  0.39  0.03  1.0
  O  O12  1  0.62  0.1  0.82  1.0
  O  O13  1  0.2  0.26  0.97  1.0
  O  O14  1  0.76  0.84  0.17  1.0
  O  O15  1  0.05  0.62  0.76  1.0
  O  O16  1  0.29  0.9  0.44  1.0

data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.22
_cell_length_b   5.53
_cell_length_c   7.47
_cell_angle_alpha   102.99
_cell_angle_beta   107.25
_cell_angle_gamma   97.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Mo2(HO5)2
_chemical_formula_sum   'Cu3 Mo2 H2 O10'
_cell_volume   196.12
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.34  0.85  0.31  1.0
  Cu  Cu2  1  0.93  0.65  0.54  1.0
  Mo  Mo3  1  0.51  0.91  0.73  1.0
  Mo  Mo4  1  0.76  0.58  0.12  1.0
  H  H5  1  0.1  0.1  0.9  1.0
  H  H6  1  0.17  0.39  0.95  1.0
  O  O7  1  0.05  0.62  0.76  1.0
  O  O8  1  0.07  0.23  0.88  1.0
  O  O9  1  0.2  0.26  0.97  1.0
  O  O10  1  0.22  0.88  0.09  1.0
  O  O11  1  0.29  0.9  0.44  1.0
  O  O12  1  0.51  0.66  0.69  1.0
  O  O13  1  0.62  0.1  0.82  1.0
  O  O14  1  0.65  0.39  0.03  1.0
  O  O15  1  0.76  0.84  0.17  1.0
  O  O16  1  0.98  0.6  0.41  1.0

Cu Cu Cu Mo Mo H H O O O O O O O O O O