data_[Zr2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [3.3747]
_cell_length_b [4.1269]
_cell_length_c [8.0543]
_cell_angle_alpha [75.6261]
_cell_angle_beta [78.6743]
_cell_angle_gamma [89.7743]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2MoO6]
_chemical_formula_sum '[Zr2 Mo1 O6]'
_cell_volume [106.4254]
_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
[
  Zr  Zr0  2  0.1772  0.1696  0.1559  1.0
  Mo  Mo1  1  0.5000  0.5000  0.5000  1.0
  O  O2  2  0.0761  0.7691  0.3818  1.0
  O  O3  2  0.2345  0.7455  0.0347  1.0
  O  O4  2  0.3839  0.7071  0.7099  1.0
]