data_[Mg2Zn4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2849]
_cell_length_b [2.7745]
_cell_length_c [4.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZn2W]
_chemical_formula_sum '[Mg2 Zn4 W2]'
_cell_volume [126.7548]
_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  0.0009  0.5000  0.5823  1
  Zn  Zn1  2  0.2548  0.0000  0.6676  1
  Zn  Zn2  2  0.4981  0.5000  0.0943  1
  W  W3  2  0.2462  0.5000  0.1558  1
]