data_[Mg1W4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [5.3745]
_cell_length_b [5.3745]
_cell_length_c [7.8369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [81]
_chemical_formula_structural [Mg(WO3)4]
_chemical_formula_sum '[Mg1 W4 O12]'
_cell_volume [226.3670]
_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  0.0000  0.0000  0.5000  1.0
  W  W1  2  0.0000  0.5000  0.2516  1.0
  W  W2  2  0.0000  0.5000  0.7556  1.0
  O  O3  4  0.1725  0.8152  0.7235  1.0
  O  O4  4  0.3034  0.6918  0.2474  1.0
  O  O5  2  0.0000  0.5000  0.5045  1.0
  O  O6  2  0.0000  0.5000  0.9922  1.0
]