data_Ta2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.59
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrW
_chemical_formula_sum   'Ta2 Ir1 W1'
_cell_volume   66.71
_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  0.83  0.0  0.14  1.0
  Ta  Ta2  1  0.84  0.29  0.34  1.0
  Ir  Ir0  1  0.96  0.29  0.92  1.0
  W  W3  1  0.94  0.0  0.53  1.0

data_Ta2IrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.59
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrW
_chemical_formula_sum   'Ta2 Ir1 W1'
_cell_volume   66.71
_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  0.83  0.0  0.14  1.0
  Ta  Ta1  1  0.84  0.29  0.34  1.0
  Ir  Ir2  1  0.96  0.29  0.92  1.0
  W  W3  1  0.94  0.0  0.53  1.0

Ta Ta Ir W
Ta Ta Ir W 0 2 o o - 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o - 