data_[Mg12W18]
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
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.9911]
_cell_length_b [7.9911]
_cell_length_c [8.7813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Mg2W3]
_chemical_formula_sum '[Mg12 W18]'
_cell_volume [485.6279]
_cell_formula_units_Z [6]
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  12  0.0000  0.0000  0.1248  1
  W  W1  18  0.0000  0.3311  0.2500  1
]