data_TaSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.53
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbW2
_chemical_formula_sum   'Ta1 Sb1 W2'
_cell_volume   70.86
_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  0.71  0.27  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.71  0.0  0.28  1.0
  W  W3  1  0.0  0.27  0.28  1.0

data_TaSbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.53
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbW2
_chemical_formula_sum   'Ta1 Sb1 W2'
_cell_volume   70.86
_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  0.71  0.27  -0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.27  0.28  1.0
  W  W3  1  0.71  0.0  0.28  1.0

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