data_[Y2Pt4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [8.4642]
_cell_length_b [2.8789]
_cell_length_c [6.4440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YPt2W]
_chemical_formula_sum '[Y2 Pt4 W2]'
_cell_volume [155.5221]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Pt  Pt1  4  0.2474  0.5000  0.8011  1
  W  W2  2  0.0000  0.5000  0.0000  1
]