# generated using pymatgen
data_TiReIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48115160
_cell_length_b   5.48115062
_cell_length_c   4.40191347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReIr6
_chemical_formula_sum   'Ti1 Re1 Ir6'
_cell_volume   114.52904282
_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  0.33333300  0.66666700  0.75000000  1.0
  Re  Re1  1  0.66666700  0.33333300  0.25000000  1.0
  Ir  Ir2  1  0.16428950  0.32858000  0.25000000  1.0
  Ir  Ir3  1  0.67142000  0.83571050  0.25000000  1.0
  Ir  Ir4  1  0.16428950  0.83571050  0.25000000  1.0
  Ir  Ir5  1  0.83166248  0.66332497  0.75000000  1.0
  Ir  Ir6  1  0.33667503  0.16833752  0.75000000  1.0
  Ir  Ir7  1  0.83166248  0.16833752  0.75000000  1.0