# generated using pymatgen
data_TiReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77787633
_cell_length_b   6.77787633
_cell_length_c   3.23571294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReSi
_chemical_formula_sum   'Ti3 Re3 Si3'
_cell_volume   128.73240355
_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
  Ti  Ti0  1  0.40328177  0.40328177  0.50000000  1.0
  Ti  Ti1  1  0.59671823  -0.00000000  0.50000000  1.0
  Ti  Ti2  1  -0.00000000  0.59671823  0.50000000  1.0
  Re  Re3  1  0.73759801  0.73759801  0.00000000  1.0
  Re  Re4  1  0.26240199  -0.00000000  -0.00000000  1.0
  Re  Re5  1  -0.00000000  0.26240199  -0.00000000  1.0
  Si  Si6  1  0.66666700  0.33333300  0.00000000  1.0
  Si  Si7  1  0.33333300  0.66666700  -0.00000000  1.0
  Si  Si8  1  0.00000000  -0.00000000  0.50000000  1.0