# generated using pymatgen
data_Zr6Ti16Re5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96866792
_cell_length_b   8.96866811
_cell_length_c   8.99808372
_cell_angle_alpha   59.89144501
_cell_angle_beta   59.89144430
_cell_angle_gamma   60.21712061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Ti16Re5Ir2
_chemical_formula_sum   'Zr6 Ti16 Re5 Ir2'
_cell_volume   511.77796888
_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
  Zr  Zr0  1  0.69070165  0.69070165  0.30929835  1.0
  Zr  Zr1  1  0.30679693  0.69320307  0.30679693  1.0
  Zr  Zr2  1  0.69320307  0.30679693  0.30679693  1.0
  Zr  Zr3  1  0.30929835  0.30929835  0.69070165  1.0
  Zr  Zr4  1  0.69320307  0.30679693  0.69320307  1.0
  Zr  Zr5  1  0.30679693  0.69320307  0.69320307  1.0
  Ti  Ti6  1  0.88133512  0.88133512  0.35179942  1.0
  Ti  Ti7  1  0.88553234  0.35179942  0.88133512  1.0
  Ti  Ti8  1  0.35179942  0.88553234  0.88133512  1.0
  Ti  Ti9  1  0.88133512  0.88133512  0.88553234  1.0
  Ti  Ti10  1  0.11866488  0.11866488  0.64820058  1.0
  Ti  Ti11  1  0.11446766  0.64820058  0.11866488  1.0
  Ti  Ti12  1  0.64820058  0.11446766  0.11866488  1.0
  Ti  Ti13  1  0.11866488  0.11866488  0.11446766  1.0
  Ti  Ti14  1  0.66763700  0.66763700  0.99474465  1.0
  Ti  Ti15  1  0.66997835  0.99474465  0.66763700  1.0
  Ti  Ti16  1  0.99474465  0.66997835  0.66763700  1.0
  Ti  Ti17  1  0.66763700  0.66763700  0.66997835  1.0
  Ti  Ti18  1  0.33236300  0.33236300  0.00525535  1.0
  Ti  Ti19  1  0.33002165  0.00525535  0.33236300  1.0
  Ti  Ti20  1  0.00525535  0.33002165  0.33236300  1.0
  Ti  Ti21  1  0.33236300  0.33236300  0.33002165  1.0
  Re  Re22  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re23  1  0.50000000  0.00000000  0.50000000  1.0
  Re  Re24  1  0.00000000  0.50000000  0.50000000  1.0
  Re  Re25  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re26  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir28  1  0.50000000  0.50000000  0.00000000  1.0