# generated using pymatgen
data_Mg3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54296733
_cell_length_b   4.54296856
_cell_length_c   8.18165857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ir
_chemical_formula_sum   'Mg6 Ir2'
_cell_volume   146.23499146
_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
  Mg  Mg0  1  0.00000000  -0.00000000  0.25000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.75000000  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.57809190  1.0
  Mg  Mg3  1  0.66666700  0.33333300  0.07809190  1.0
  Mg  Mg4  1  0.66666700  0.33333300  0.42190810  1.0
  Mg  Mg5  1  0.33333300  0.66666700  0.92190810  1.0
  Ir  Ir6  1  0.33333300  0.66666700  0.25000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.75000000  1.0