data_[Mg2Zr2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P4_2nm]
_cell_length_a [4.8168]
_cell_length_b [4.8168]
_cell_length_c [9.3699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [MgZrMoO6]
_chemical_formula_sum '[Mg2 Zr2 Mo2 O12]'
_cell_volume [217.3979]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0015  1.0
  Zr  Zr1  2  0.0000  0.0000  0.6697  1.0
  Mo  Mo2  2  0.0000  0.0000  0.3341  1.0
  O  O3  4  0.1907  0.8093  0.1787  1.0
  O  O4  4  0.1909  0.8091  0.4866  1.0
  O  O5  4  0.2116  0.7884  0.8320  1.0
]