data_[Zr1Cd1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8508]
_cell_length_b [4.4052]
_cell_length_c [6.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrCdW2]
_chemical_formula_sum '[Zr1 Cd1 W2]'
_cell_volume [74.7780]
_cell_formula_units_Z [1]
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  1  0.9536  0.0000  0.4868  1
  Cd  Cd1  1  0.5311  0.5000  0.7589  1
  W  W2  1  0.0775  0.0000  0.0259  1
  W  W3  1  0.4378  0.5000  0.2285  1
]