[CIF]
data_BaTiReIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72112275
_cell_length_b   4.72112275
_cell_length_c   4.72112275
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiReIr
_chemical_formula_sum   'Ba1 Ti1 Re1 Ir1'
_cell_volume   74.40821368
_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
  Ba  Ba0  1  1.66916895  1.66916896  1.66916896  1
  Ir  Ir1  1  5.00750686  5.00750686  5.00750686  1
  Re  Re2  1  3.33833791  3.33833791  3.33833791  1
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
