# generated using pymatgen
data_Mg4SiP5Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84203928
_cell_length_b   6.84203925
_cell_length_c   6.84203896
_cell_angle_alpha   109.77910836
_cell_angle_beta   108.85737165
_cell_angle_gamma   109.77909804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4SiP5Ir7
_chemical_formula_sum   'Mg4 Si1 P5 Ir7'
_cell_volume   246.54515766
_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  0.50399607  0.50412205  0.50399607  1.0
  Mg  Mg1  1  0.99987502  0.00000000  0.50399607  1.0
  Mg  Mg2  1  0.50399607  0.00000000  0.99987502  1.0
  Mg  Mg3  1  0.99987502  0.49587895  0.99987502  1.0
  Si  Si4  1  0.31269130  0.00000000  0.31269130  1.0
  P  P5  1  0.67367136  0.00000100  0.67367136  1.0
  P  P6  1  0.00146010  0.68235513  0.68381524  1.0
  P  P7  1  0.00145910  0.31764487  0.31910397  1.0
  P  P8  1  0.68381524  0.68235513  0.00146010  1.0
  P  P9  1  0.31910397  0.31764487  0.00145910  1.0
  Ir  Ir10  1  0.99915558  0.00000000  0.99915558  1.0
  Ir  Ir11  1  0.24767373  0.74799336  0.49967936  1.0
  Ir  Ir12  1  0.25109137  0.50000000  0.75109037  1.0
  Ir  Ir13  1  0.49967936  0.74799336  0.24767373  1.0
  Ir  Ir14  1  0.49968036  0.25200564  0.75168600  1.0
  Ir  Ir15  1  0.75168600  0.25200564  0.49968036  1.0
  Ir  Ir16  1  0.75109037  0.50000000  0.25109137  1.0