data_Ta2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.69
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdW
_chemical_formula_sum   'Ta2 Pd1 W1'
_cell_volume   67.9
_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  0.16  0.35  0.22  1.0
  Ta  Ta2  1  0.85  0.0  0.37  1.0
  Pd  Pd0  1  0.04  0.0  0.99  1.0
  W  W3  1  0.96  0.35  0.51  1.0

data_Ta2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.69
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdW
_chemical_formula_sum   'Ta2 Pd1 W1'
_cell_volume   67.9
_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  0.16  0.35  0.22  1.0
  Ta  Ta1  1  0.85  0.0  0.37  1.0
  Pd  Pd2  1  0.04  0.0  0.99  1.0
  W  W3  1  0.96  0.35  0.51  1.0

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