data_[Mg28Fe2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9425]
_cell_length_b [6.1336]
_cell_length_c [10.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14FeW]
_chemical_formula_sum '[Mg28 Fe2 W2]'
_cell_volume [658.6573]
_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  8  0.2699  0.2490  0.5876  1
  Mg  Mg1  4  0.0000  0.2497  0.4179  1
  Mg  Mg2  4  0.2578  0.0000  0.8263  1
  Mg  Mg3  4  0.2612  0.0000  0.3259  1
  Mg  Mg4  4  0.5000  0.2484  0.9166  1
  Mg  Mg5  2  0.0000  0.0000  0.1660  1
  Mg  Mg6  2  0.0000  0.0000  0.6659  1
  Fe  Fe7  2  0.5000  0.0000  0.1716  1
  W  W8  2  0.5000  0.0000  0.6728  1
]