data_[Cu3Mo2H2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4991]
_cell_length_b [5.7183]
_cell_length_c [7.5998]
_cell_angle_alpha [103.0153]
_cell_angle_beta [106.1566]
_cell_angle_gamma [97.6687]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu3Mo2(HO5)2]
_chemical_formula_sum '[Cu3 Mo2 H2 O10]'
_cell_volume [218.6777]
_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  2  0.2261  0.0846  0.1874  1.0
  Cu  Cu1  1  0.0000  0.5000  0.0000  1.0
  Mo  Mo2  2  0.3256  0.2688  0.6948  1.0
  H  H3  2  0.2224  0.8270  0.8629  1.0
  O  O4  2  0.0471  0.3023  0.7748  1.0
  O  O5  2  0.1033  0.8210  0.9390  1.0
  O  O6  2  0.2307  0.2387  0.4446  1.0
  O  O7  2  0.4209  0.4703  0.1784  1.0
  O  O8  2  0.4351  0.9961  0.7447  1.0
]