data_Ta2CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   143.07
_cell_angle_beta   129.77
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdW
_chemical_formula_sum   'Ta2 Cd1 W1'
_cell_volume   72.87
_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
  Ta  Ta1  1  0.72  0.0  0.07  1.0
  Ta  Ta2  1  0.0  0.0  0.39  1.0
  Cd  Cd0  1  0.0  0.0  0.86  1.0
  W  W3  1  0.72  0.0  0.49  1.0

data_Ta2CdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.61
_cell_length_c   5.43
_cell_angle_alpha   115.11
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdW
_chemical_formula_sum   'Ta2 Cd1 W1'
_cell_volume   72.87
_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
  Ta  Ta0  1  0.61  0.61  0.61  1.0
  Ta  Ta1  1  0.65  0.93  0.65  1.0
  Cd  Cd2  1  0.14  0.14  0.14  1.0
  W  W3  1  0.23  0.51  0.23  1.0

Ta Ta Cd W
Ta Ta Cd W 0 1 + o o 2 3 - o o 