data_TiZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   135.81
_cell_angle_beta   135.81
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnIr2
_chemical_formula_sum   'Ti1 Zn1 Ir2'
_cell_volume   58.12
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.86  0.1  1.0
  Ir  Ir0  1  0.0  0.0  0.19  1.0
  Ir  Ir1  1  0.86  0.0  0.1  1.0

data_TiZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.95
_cell_angle_alpha   112.1
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnIr2
_chemical_formula_sum   'Ti1 Zn1 Ir2'
_cell_volume   58.12
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.23  0.1  0.23  1.0
  Ir  Ir2  1  0.1  0.23  0.23  1.0
  Ir  Ir3  1  0.19  0.19  0.19  1.0

Ti Zn Ir Ir