data_[Mg4Sb2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3428]
_cell_length_b [7.8161]
_cell_length_c [5.4646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg2SbMoO6]
_chemical_formula_sum '[Mg4 Sb2 Mo2 O12]'
_cell_volume [228.1895]
_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  0.0130  0.2500  0.9687  1.0
  Mg  Mg1  2  0.4926  0.7500  0.5551  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  2  0.5000  0.0000  0.0000  1.0
  O  O4  4  0.1568  0.5714  0.8137  1.0
  O  O5  4  0.3136  0.5706  0.3358  1.0
  O  O6  2  0.1378  0.2500  0.5834  1.0
  O  O7  2  0.3673  0.2500  0.0943  1.0
]