data_[Y2Zr4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0089]
_cell_length_b [2.9785]
_cell_length_c [5.9909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YZr2W]
_chemical_formula_sum '[Y2 Zr4 W2]'
_cell_volume [178.3989]
_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  0.2458  0.0000  0.7389  1
  Zr  Zr1  2  0.0050  0.0000  0.0248  1
  Zr  Zr2  2  0.2503  0.5000  0.2601  1
  W  W3  2  0.4988  0.0000  0.4762  1
]