data_ZrTa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   144.12
_cell_angle_beta   129.86
_cell_angle_gamma   63.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ir
_chemical_formula_sum   'Zr1 Ta2 Ir1'
_cell_volume   72.08
_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
  Zr  Zr3  1  0.0  0.0  0.7  1.0
  Ta  Ta1  1  0.0  0.0  0.22  1.0
  Ta  Ta2  1  0.68  0.0  0.29  1.0
  Ir  Ir0  1  0.0  0.31  0.37  1.0

data_ZrTa2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.62
_cell_length_c   5.45
_cell_angle_alpha   115.07
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ir
_chemical_formula_sum   'Zr1 Ta2 Ir1'
_cell_volume   72.08
_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
  Zr  Zr0  1  0.0  0.7  0.7  1.0
  Ta  Ta1  1  0.0  0.22  0.22  1.0
  Ta  Ta2  1  0.0  0.29  0.61  1.0
  Ir  Ir3  1  0.69  0.06  0.06  1.0

Zr Ta Ta Ir