data_[Zn2Mo1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2999]
_cell_length_b [5.3357]
_cell_length_c [5.6367]
_cell_angle_alpha [61.8390]
_cell_angle_beta [89.3450]
_cell_angle_gamma [60.6215]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn2MoWO6]
_chemical_formula_sum '[Zn2 Mo1 W1 O6]'
_cell_volume [117.3227]
_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
[
  Zn  Zn0  1  0.2682  0.4635  0.8096  1.0
  Zn  Zn1  1  0.7688  0.4385  0.3277  1.0
  Mo  Mo2  1  0.4934  0.0070  0.4780  1.0
  W  W3  1  0.9942  0.0048  0.9809  1.0
  O  O4  1  0.0944  0.1642  0.2085  1.0
  O  O5  1  0.2190  0.1631  0.7275  1.0
  O  O6  1  0.3726  0.5230  0.1950  1.0
  O  O7  1  0.6193  0.4866  0.7113  1.0
  O  O8  1  0.7594  0.8660  0.2150  1.0
  O  O9  1  0.8938  0.8904  0.7129  1.0
]