# generated using pymatgen
data_Mg4Ni2P6Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77332383
_cell_length_b   6.72232302
_cell_length_c   6.72232255
_cell_angle_alpha   108.74822223
_cell_angle_beta   109.67838665
_cell_angle_gamma   109.67838880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Ni2P6Ir5
_chemical_formula_sum   'Mg4 Ni2 P6 Ir5'
_cell_volume   236.50128395
_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  1.00000000  0.99892203  0.50366377  1.0
  Mg  Mg1  1  0.50000000  0.00168643  0.99831357  1.0
  Mg  Mg2  1  0.00000000  0.49633623  0.00107797  1.0
  Mg  Mg3  1  0.50000000  0.50168643  0.49831357  1.0
  Ni  Ni4  1  0.23797263  0.49034410  0.74762853  1.0
  Ni  Ni5  1  0.76202737  0.25237147  0.50965590  1.0
  P  P6  1  0.68104074  0.68323320  0.99780755  1.0
  P  P7  1  0.31672074  0.32180775  0.99491299  1.0
  P  P8  1  0.00000000  0.67145441  0.68398636  1.0
  P  P9  1  1.00000000  0.31601364  0.32854559  1.0
  P  P10  1  0.68327926  0.00508701  0.67819225  1.0
  P  P11  1  0.31895926  0.00219245  0.31676680  1.0
  Ir  Ir12  1  1.00000000  0.00323475  0.99676525  1.0
  Ir  Ir13  1  0.50000000  0.25759535  0.74240465  1.0
  Ir  Ir14  1  0.50000000  0.75759535  0.24240465  1.0
  Ir  Ir15  1  0.74399255  0.49221598  0.25177657  1.0
  Ir  Ir16  1  0.25600745  0.74822343  0.50778402  1.0