data_[Cu8Mo10O34]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7378]
_cell_length_b [9.4807]
_cell_length_c [10.8544]
_cell_angle_alpha [105.8649]
_cell_angle_beta [91.7992]
_cell_angle_gamma [110.0821]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu4Mo5O17]
_chemical_formula_sum '[Cu8 Mo10 O34]'
_cell_volume [620.3554]
_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
[
  Cu  Cu0  2  0.0726  0.7758  0.5555  1
  Cu  Cu1  2  0.2053  0.8997  0.3035  1
  Cu  Cu2  2  0.2538  0.7256  0.9484  1
  Cu  Cu3  2  0.3140  0.5576  0.6429  1
  Mo  Mo4  2  0.2064  0.5560  0.3319  1
  Mo  Mo5  2  0.2253  0.2039  0.1993  1
  Mo  Mo6  2  0.2436  0.3786  0.9720  1
  Mo  Mo7  2  0.2834  0.0361  0.8479  1
  Mo  Mo8  2  0.3209  0.1906  0.6069  1
  O  O9  2  0.0265  0.6612  0.0674  1
  O  O10  2  0.0450  0.1684  0.5859  1
  O  O11  2  0.0620  0.5006  0.7345  1
  O  O12  2  0.0892  0.0074  0.2084  1
  O  O13  2  0.1383  0.8448  0.8667  1
  O  O14  2  0.1669  0.3285  0.3500  1
  O  O15  2  0.2027  0.6165  0.5050  1
  O  O16  2  0.2152  0.1613  0.0089  1
  O  O17  2  0.2609  0.4184  0.1571  1
  O  O18  2  0.2701  0.9906  0.6673  1
  O  O19  2  0.3035  0.2514  0.8199  1
  O  O20  2  0.3431  0.7502  0.3069  1
  O  O21  2  0.3664  0.0962  0.4539  1
  O  O22  2  0.3813  0.5743  0.9638  1
  O  O23  2  0.4489  0.9184  0.0991  1
  O  O24  2  0.4498  0.4034  0.6233  1
  O  O25  2  0.4975  0.2401  0.2328  1
]