data_Ta2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   148.59
_cell_angle_beta   129.18
_cell_angle_gamma   60.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnIr
_chemical_formula_sum   'Ta2 Zn1 Ir1'
_cell_volume   65.8
_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  0.0  0.0  0.34  1.0
  Ta  Ta2  1  0.48  0.0  0.32  1.0
  Zn  Zn3  1  0.0  0.0  0.86  1.0
  Ir  Ir0  1  0.0  0.35  0.36  1.0

data_Ta2ZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.7
_cell_length_c   5.48
_cell_angle_alpha   115.41
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnIr
_chemical_formula_sum   'Ta2 Zn1 Ir1'
_cell_volume   65.8
_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  0.16  0.68  0.16  1.0
  Ta  Ta1  1  0.66  0.66  0.66  1.0
  Zn  Zn2  1  0.14  0.14  0.14  1.0
  Ir  Ir3  1  0.64  0.99  0.99  1.0

Ta Ta Zn Ir