data_[Y4Al2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2550]
_cell_length_b [3.1007]
_cell_length_c [5.4084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2AlW]
_chemical_formula_sum '[Y4 Al2 W2]'
_cell_volume [181.4356]
_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  0.2726  0.5000  0.3024  1
  Y  Y1  2  0.4747  0.5000  0.9507  1
  Al  Al2  2  0.0332  0.5000  0.4824  1
  W  W3  2  0.2194  0.0000  0.7645  1
]