data_Ta2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnIr
_chemical_formula_sum   'Ta2 Zn1 Ir1'
_cell_volume   66.59
_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  0.62  1.0
  Ta  Ta2  1  0.0  0.0  0.91  1.0
  Zn  Zn3  1  0.0  0.0  0.01  1.0
  Ir  Ir0  1  0.0  0.0  0.92  1.0

data_Ta2ZnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2ZnIr
_chemical_formula_sum   'Ta4 Zn2 Ir2'
_cell_volume   133.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.38  1.0
  Ta  Ta1  2  0.0  0.0  0.09  1.0
  Zn  Zn2  2  0.0  0.0  0.99  1.0
  Ir  Ir3  2  0.0  0.0  0.08  1.0

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