# generated using pymatgen
data_Zr9TaRe3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82671632
_cell_length_b   8.82671598
_cell_length_c   8.52576558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9TaRe3Ir
_chemical_formula_sum   'Zr18 Ta2 Re6 Ir2'
_cell_volume   575.25753845
_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  0.19737635  0.80262365  0.44478574  1.0
  Zr  Zr1  1  0.19737635  0.39475270  0.44478574  1.0
  Zr  Zr2  1  0.60524730  0.80262365  0.44478574  1.0
  Zr  Zr3  1  0.80262365  0.19737635  0.55521426  1.0
  Zr  Zr4  1  0.80262365  0.60524730  0.55521426  1.0
  Zr  Zr5  1  0.39475270  0.19737635  0.55521426  1.0
  Zr  Zr6  1  0.80262365  0.19737635  0.94478574  1.0
  Zr  Zr7  1  0.80262365  0.60524730  0.94478574  1.0
  Zr  Zr8  1  0.39475270  0.19737635  0.94478574  1.0
  Zr  Zr9  1  0.19737635  0.80262365  0.05521426  1.0
  Zr  Zr10  1  0.19737635  0.39475270  0.05521426  1.0
  Zr  Zr11  1  0.60524730  0.80262365  0.05521426  1.0
  Zr  Zr12  1  0.54230065  0.45769935  0.25000000  1.0
  Zr  Zr13  1  0.54230065  0.08460131  0.25000000  1.0
  Zr  Zr14  1  0.91539869  0.45769935  0.25000000  1.0
  Zr  Zr15  1  0.45769935  0.54230065  0.75000000  1.0
  Zr  Zr16  1  0.45769935  0.91539869  0.75000000  1.0
  Zr  Zr17  1  0.08460131  0.54230065  0.75000000  1.0
  Ta  Ta18  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta19  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re20  1  0.88832348  0.11167652  0.25000000  1.0
  Re  Re21  1  0.88832348  0.77664797  0.25000000  1.0
  Re  Re22  1  0.22335203  0.11167652  0.25000000  1.0
  Re  Re23  1  0.11167652  0.88832348  0.75000000  1.0
  Re  Re24  1  0.11167652  0.22335203  0.75000000  1.0
  Re  Re25  1  0.77664797  0.88832348  0.75000000  1.0
  Ir  Ir26  1  0.33333300  0.66666700  0.25000000  1.0
  Ir  Ir27  1  0.66666700  0.33333300  0.75000000  1.0