# generated using pymatgen
data_MoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76093025
_cell_length_b   4.44589412
_cell_length_c   4.82102327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIr
_chemical_formula_sum   'Mo2 Ir2'
_cell_volume   59.17711362
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.00000000  0.25000000  0.17091324  1.0
  Mo  Mo1  1  0.00000000  0.75000000  0.82908676  1.0
  Ir  Ir2  1  0.50000000  0.25000000  0.67585560  1.0
  Ir  Ir3  1  0.50000000  0.75000000  0.32414440  1.0