data_[Mg2W10]
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 [10.8062]
_cell_length_b [2.6577]
_cell_length_c [7.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgW5]
_chemical_formula_sum '[Mg2 W10]'
_cell_volume [199.3293]
_cell_formula_units_Z [2]
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  0.2255  0.5000  0.9538  1
  W  W1  2  0.0618  0.0000  0.6210  1
  W  W2  2  0.1664  0.5000  0.3172  1
  W  W3  2  0.3226  0.0000  0.6576  1
  W  W4  2  0.3981  0.0000  0.2935  1
  W  W5  2  0.4923  0.5000  0.9902  1
]