data_[Zr2Ti2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7867]
_cell_length_b [4.7867]
_cell_length_c [9.4668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ZrTiMoO6]
_chemical_formula_sum '[Zr2 Ti2 Mo2 O12]'
_cell_volume [216.9053]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.6681  1.0
  Ti  Ti1  2  0.0000  0.0000  0.3311  1.0
  Mo  Mo2  2  0.0000  0.0000  0.9989  1.0
  O  O3  4  0.1890  0.8110  0.1731  1.0
  O  O4  4  0.1972  0.8028  0.4917  1.0
  O  O5  4  0.2073  0.7927  0.8361  1.0
]