data_[Mg6W6]
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 [Cm]
_cell_length_a [11.2682]
_cell_length_b [2.7355]
_cell_length_c [6.9541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgW]
_chemical_formula_sum '[Mg6 W6]'
_cell_volume [209.5440]
_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  2  0.0632  0.0000  0.6196  1
  Mg  Mg1  2  0.1650  0.5000  0.3209  1
  Mg  Mg2  2  0.2225  0.5000  0.9553  1
  W  W3  2  0.3395  0.0000  0.6523  1
  W  W4  2  0.3963  0.0000  0.2990  1
  W  W5  2  0.4803  0.5000  0.9861  1
]