data_[Mg4Sb2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0364]
_cell_length_b [2.9637]
_cell_length_c [5.3273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2SbW]
_chemical_formula_sum '[Mg4 Sb2 W2]'
_cell_volume [157.6053]
_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  0.0109  0.0000  0.0010  1
  Mg  Mg1  2  0.2540  0.0000  0.7713  1
  Sb  Sb2  2  0.4886  0.0000  0.4678  1
  W  W3  2  0.2465  0.5000  0.2598  1
]