data_[Mg28Cr2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0919]
_cell_length_b [6.1246]
_cell_length_c [10.8989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg14CrW]
_chemical_formula_sum '[Mg28 Cr2 W2]'
_cell_volume [673.6468]
_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  0.2664  0.2463  0.5859  1
  Mg  Mg1  4  0.0000  0.2493  0.9183  1
  Mg  Mg2  4  0.2549  0.0000  0.3279  1
  Mg  Mg3  4  0.2594  0.0000  0.8267  1
  Mg  Mg4  4  0.5000  0.2500  0.9177  1
  Mg  Mg5  2  0.0000  0.0000  0.1661  1
  Mg  Mg6  2  0.0000  0.0000  0.6672  1
  Cr  Cr7  2  0.5000  0.0000  0.1693  1
  W  W8  2  0.5000  0.0000  0.6727  1
]