data_TaAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.55
_cell_angle_alpha   92.71
_cell_angle_beta   92.71
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsIr2
_chemical_formula_sum   'Ta1 As1 Ir2'
_cell_volume   64.7
_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  Ta3  1  0.91  0.0  0.38  1.0
  As  As0  1  0.14  0.0  1.0  1.0
  Ir  Ir1  1  0.37  0.0  0.03  1.0
  Ir  Ir2  1  0.2  0.0  0.4  1.0

data_TaAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.55
_cell_length_c   5.02
_cell_angle_alpha   92.71
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsIr2
_chemical_formula_sum   'Ta1 As1 Ir2'
_cell_volume   64.7
_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  0.0  0.38  0.91  1.0
  As  As1  1  0.0  1.0  0.14  1.0
  Ir  Ir2  1  0.0  0.03  0.37  1.0
  Ir  Ir3  1  0.0  0.4  0.2  1.0

Ta As Ir Ir