data_[Mg1Mo2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [5.2133]
_cell_length_b [5.4925]
_cell_length_c [7.5688]
_cell_angle_alpha [89.2097]
_cell_angle_beta [89.5683]
_cell_angle_gamma [89.7526]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMo2(WO6)2]
_chemical_formula_sum '[Mg1 Mo2 W2 O12]'
_cell_volume [216.6995]
_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
[
  Mg  Mg0  1  0.5224  0.5677  0.7520  1.0
  Mo  Mo1  1  0.0201  0.5001  0.4969  1.0
  Mo  Mo2  1  0.4902  0.0165  0.9978  1.0
  W  W3  1  0.5129  0.0174  0.4935  1.0
  W  W4  1  0.9991  0.5108  0.0062  1.0
  O  O5  1  0.1314  0.4815  0.7557  1.0
  O  O6  1  0.2012  0.1896  0.4595  1.0
  O  O7  1  0.2021  0.1981  0.0449  1.0
  O  O8  1  0.2812  0.7096  0.4535  1.0
  O  O9  1  0.2930  0.6981  0.0435  1.0
  O  O10  1  0.4137  0.9516  0.7468  1.0
  O  O11  1  0.6034  0.0218  0.2553  1.0
  O  O12  1  0.6903  0.3004  0.5623  1.0
  O  O13  1  0.6939  0.3163  0.9314  1.0
  O  O14  1  0.7626  0.7669  0.5566  1.0
  O  O15  1  0.7861  0.7821  0.9488  1.0
  O  O16  1  0.9089  0.4964  0.2452  1.0
]