data_Ta2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgIr
_chemical_formula_sum   'Ta2 Ag1 Ir1'
_cell_volume   66.84
_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  Ta2  1  0.42  0.96  0.44  1.0
  Ta  Ta3  1  0.42  0.04  0.44  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.84  0.0  0.0  1.0

data_Ta2AgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   110.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgIr
_chemical_formula_sum   'Ta2 Ag1 Ir1'
_cell_volume   66.84
_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  0.44  0.42  0.04  1.0
  Ta  Ta1  1  0.44  0.42  0.96  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  -0.0  0.84  0.0  1.0

Ta Ta Ag Ir
Ta Ta Ag Ir 0 1 o + o 2 3 - o o 