# generated using pymatgen
data_Mg6ZrNb5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25059401
_cell_length_b   6.95182377
_cell_length_c   12.74325649
_cell_angle_alpha   89.99962935
_cell_angle_beta   90.00008445
_cell_angle_gamma   90.00272507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6ZrNb5Ir12
_chemical_formula_sum   'Mg6 Zr1 Nb5 Ir12'
_cell_volume   376.55533345
_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
  Mg  Mg0  1  0.99999210  0.00000375  0.00035794  1.0
  Mg  Mg1  1  0.50001337  0.50000740  0.16959594  1.0
  Mg  Mg2  1  0.00004312  0.00000462  0.33335363  1.0
  Mg  Mg3  1  0.50000724  0.49999681  0.49699533  1.0
  Mg  Mg4  1  0.99999259  0.99999269  0.66638496  1.0
  Mg  Mg5  1  0.49995492  0.50000071  0.83331110  1.0
  Zr  Zr6  1  0.49998324  0.99999325  0.83334553  1.0
  Nb  Nb7  1  0.99998422  0.50000828  0.00281966  1.0
  Nb  Nb8  1  0.50001868  0.00001239  0.16669626  1.0
  Nb  Nb9  1  0.00001742  0.49999687  0.33334445  1.0
  Nb  Nb10  1  0.50001482  0.99999552  0.49999383  1.0
  Nb  Nb11  1  0.99998006  0.49998084  0.66371847  1.0
  Ir  Ir12  1  0.49998588  0.25636268  0.00362289  1.0
  Ir  Ir13  1  0.49999194  0.74365554  0.00362585  1.0
  Ir  Ir14  1  0.00000986  0.24942078  0.16795553  1.0
  Ir  Ir15  1  0.00001490  0.75059469  0.16795468  1.0
  Ir  Ir16  1  0.50002334  0.24841556  0.33335321  1.0
  Ir  Ir17  1  0.50002380  0.75159744  0.33335080  1.0
  Ir  Ir18  1  0.00001200  0.24930499  0.49872838  1.0
  Ir  Ir19  1  0.00001117  0.75068337  0.49872407  1.0
  Ir  Ir20  1  0.49998525  0.25628954  0.66305499  1.0
  Ir  Ir21  1  0.49998655  0.74368199  0.66305369  1.0
  Ir  Ir22  1  0.99996975  0.26213367  0.83332853  1.0
  Ir  Ir23  1  0.99997579  0.73786561  0.83333130  1.0