# generated using pymatgen
data_ZrReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97492549
_cell_length_b   6.97492549
_cell_length_c   3.42462990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReSi
_chemical_formula_sum   'Zr3 Re3 Si3'
_cell_volume   144.28572110
_cell_formula_units_Z   3
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  0.40411927  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.40411927  0.50000000  1.0
  Zr  Zr2  1  0.59588073  0.59588073  0.50000000  1.0
  Re  Re3  1  0.74563422  0.00000000  0.00000000  1.0
  Re  Re4  1  0.00000000  0.74563422  0.00000000  1.0
  Re  Re5  1  0.25436578  0.25436578  0.00000000  1.0
  Si  Si6  1  0.33333300  0.66666700  0.00000000  1.0
  Si  Si7  1  0.66666700  0.33333300  0.00000000  1.0
  Si  Si8  1  -0.00000000  0.00000000  0.50000000  1.0