data_Zr2CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.36
_cell_angle_alpha   99.3
_cell_angle_beta   99.3
_cell_angle_gamma   31.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   81.7
_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  Zr2  1  0.11  0.0  0.19  1.0
  Zr  Zr3  1  0.87  0.0  0.81  1.0
  Cd  Cd0  1  0.66  0.0  0.74  1.0
  W  W1  1  0.78  0.0  0.18  1.0

data_Zr2CdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.36
_cell_length_c   5.46
_cell_angle_alpha   99.3
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdW
_chemical_formula_sum   'Zr2 Cd1 W1'
_cell_volume   81.7
_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  0.0  0.19  0.11  1.0
  Zr  Zr1  1  0.0  0.81  0.87  1.0
  Cd  Cd2  1  0.0  0.74  0.66  1.0
  W  W3  1  0.0  0.18  0.78  1.0

Zr Zr Cd W