data_[Mg4Pt4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5347]
_cell_length_b [3.0299]
_cell_length_c [4.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgPtW]
_chemical_formula_sum '[Mg4 Pt4 W4]'
_cell_volume [196.3838]
_cell_formula_units_Z [4]
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  4  0.0756  0.0000  0.2301  1
  Pt  Pt1  4  0.0900  0.5000  0.7277  1
  W  W2  4  0.2433  0.0000  0.7492  1
]