data_[Mg4W4O16]
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 [C2/c]
_cell_length_a [6.3668]
_cell_length_b [13.2732]
_cell_length_c [4.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgWO4]
_chemical_formula_sum '[Mg4 W4 O16]'
_cell_volume [320.6872]
_cell_formula_units_Z [4]
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  4  0.0000  0.4090  0.2500  1.0
  W  W1  4  0.0000  0.0855  0.7500  1.0
  O  O2  8  0.2299  0.8329  0.2599  1.0
  O  O3  8  0.2328  0.0396  0.2387  1.0
]