# generated using pymatgen
data_NbReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29865705
_cell_length_b   6.81587780
_cell_length_c   6.81640582
_cell_angle_alpha   119.99743430
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReSi
_chemical_formula_sum   'Nb3 Re3 Si3'
_cell_volume   132.72607728
_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
  Nb  Nb0  1  0.50000000  0.59815076  1.00000000  1.0
  Nb  Nb1  1  0.50000000  0.40185827  0.40190222  1.0
  Nb  Nb2  1  0.50000000  0.99995605  0.59809778  1.0
  Re  Re3  1  0.00000000  0.25856348  1.00000000  1.0
  Re  Re4  1  0.00000000  0.74159542  0.74181839  1.0
  Re  Re5  1  -0.00000000  0.99977603  0.25818161  1.0
  Si  Si6  1  0.00000000  0.33325166  0.66660900  1.0
  Si  Si7  1  -0.00000000  0.66664365  0.33339100  1.0
  Si  Si8  1  0.50000000  0.00010567  0.00000000  1.0