# generated using pymatgen
data_Zr4ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72219604
_cell_length_b   8.72219610
_cell_length_c   8.72219716
_cell_angle_alpha   60.00000345
_cell_angle_beta   60.00000323
_cell_angle_gamma   60.00000237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4ReNi
_chemical_formula_sum   'Zr16 Re4 Ni4'
_cell_volume   469.20498902
_cell_formula_units_Z   4
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  0.69355613  0.10214696  0.10214696  1.0
  Zr  Zr1  1  0.10214696  0.69355613  0.10214696  1.0
  Zr  Zr2  1  0.10214696  0.10214696  0.69355613  1.0
  Zr  Zr3  1  0.10214696  0.10214696  0.10214696  1.0
  Zr  Zr4  1  0.31549103  0.31549103  0.68450897  1.0
  Zr  Zr5  1  0.68450897  0.68450897  0.31549103  1.0
  Zr  Zr6  1  0.31549103  0.68450897  0.31549103  1.0
  Zr  Zr7  1  0.68450897  0.31549103  0.68450897  1.0
  Zr  Zr8  1  0.68450897  0.31549103  0.31549103  1.0
  Zr  Zr9  1  0.31549103  0.68450897  0.68450897  1.0
  Zr  Zr10  1  0.95650815  0.95650815  0.54349185  1.0
  Zr  Zr11  1  0.54349185  0.54349185  0.95650815  1.0
  Zr  Zr12  1  0.95650815  0.54349185  0.95650815  1.0
  Zr  Zr13  1  0.54349185  0.95650815  0.54349185  1.0
  Zr  Zr14  1  0.54349185  0.95650815  0.95650815  1.0
  Zr  Zr15  1  0.95650815  0.54349185  0.54349185  1.0
  Re  Re16  1  0.00507973  0.33163909  0.33163909  1.0
  Re  Re17  1  0.33163909  0.00507973  0.33163909  1.0
  Re  Re18  1  0.33163909  0.33163909  0.00507973  1.0
  Re  Re19  1  0.33163909  0.33163909  0.33163909  1.0
  Ni  Ni20  1  0.32909107  0.89030331  0.89030331  1.0
  Ni  Ni21  1  0.89030331  0.32909107  0.89030331  1.0
  Ni  Ni22  1  0.89030331  0.89030331  0.32909107  1.0
  Ni  Ni23  1  0.89030331  0.89030331  0.89030331  1.0