# generated using pymatgen
data_Zr2MnSi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85707491
_cell_length_b   6.58044668
_cell_length_c   7.62068774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnSi2Ir
_chemical_formula_sum   'Zr4 Mn2 Si4 Ir2'
_cell_volume   193.42277709
_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
  Zr  Zr0  1  0.25000000  0.02109531  0.32235539  1.0
  Zr  Zr1  1  0.25000000  0.52109531  0.17764461  1.0
  Zr  Zr2  1  0.75000000  0.97436594  0.67718670  1.0
  Zr  Zr3  1  0.75000000  0.47436594  0.82281330  1.0
  Mn  Mn4  1  0.25000000  0.14609296  0.93840440  1.0
  Mn  Mn5  1  0.25000000  0.64609296  0.56159560  1.0
  Si  Si6  1  0.25000000  0.26834343  0.61892107  1.0
  Si  Si7  1  0.25000000  0.76834343  0.88107893  1.0
  Si  Si8  1  0.75000000  0.72812558  0.36910709  1.0
  Si  Si9  1  0.75000000  0.22812558  0.13089291  1.0
  Ir  Ir10  1  0.75000000  0.86197779  0.06009500  1.0
  Ir  Ir11  1  0.75000000  0.36197779  0.43990500  1.0