# generated using pymatgen
data_TiZn4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69784622
_cell_length_b   4.69783090
_cell_length_c   4.45802891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00268810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn4Ir
_chemical_formula_sum   'Ti1 Zn4 Ir1'
_cell_volume   85.20821191
_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  0.66668166  0.66666432  0.00000000  1.0
  Zn  Zn1  1  0.33333416  0.33332790  0.00000000  1.0
  Zn  Zn2  1  0.68367651  0.99708280  0.49999800  1.0
  Zn  Zn3  1  0.99709082  0.31923535  0.49999800  1.0
  Zn  Zn4  1  0.31923227  0.68367520  0.49999800  1.0
  Ir  Ir5  1  0.99999257  0.00000443  0.00000000  1.0