data_[Zr2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [2.7726]
_cell_length_b [2.7726]
_cell_length_c [9.9829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [ZrW]
_chemical_formula_sum '[Zr2 W2]'
_cell_volume [76.7437]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.3554  1
  W  W1  2  0.0000  0.5000  0.8866  1
]