data_Cd2Ni2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   147.53
_cell_angle_beta   147.53
_cell_angle_gamma   46.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ni2W
_chemical_formula_sum   'Cd2 Ni2 W1'
_cell_volume   82.44
_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
  Cd  Cd0  1  0.0  0.84  0.03  1.0
  Cd  Cd1  1  0.84  0.0  0.03  1.0
  Ni  Ni2  1  0.0  0.0  0.15  1.0
  Ni  Ni3  1  0.0  0.0  0.96  1.0
  W  W4  1  0.0  0.0  0.0  1.0

data_Cd2Ni2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   113.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2Ni2W
_chemical_formula_sum   'Cd4 Ni4 W2'
_cell_volume   164.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  4  0.42  0.42  0.81  1.0
  Ni  Ni1  2  0.0  0.0  0.04  1.0
  Ni  Ni2  2  0.0  0.0  0.85  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Cd Cd Ni Ni W
Cd Cd Ni Ni W 0 2 o + o 1 2 + o o 3 4 o o + 