data_TaReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.46
_cell_angle_alpha   103.89
_cell_angle_beta   103.89
_cell_angle_gamma   38.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReSi2
_chemical_formula_sum   'Ta1 Re1 Si2'
_cell_volume   58.69
_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
  Ta  Ta3  1  0.85  0.0  0.98  1.0
  Re  Re0  1  0.41  0.0  0.49  1.0
  Si  Si1  1  0.92  0.0  0.19  1.0
  Si  Si2  1  0.3  0.0  0.11  1.0

data_TaReSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.46
_cell_length_c   4.69
_cell_angle_alpha   103.89
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReSi2
_chemical_formula_sum   'Ta1 Re1 Si2'
_cell_volume   58.69
_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
  Ta  Ta0  1  0.0  0.98  0.85  1.0
  Si  Si1  1  0.0  0.11  0.3  1.0
  Si  Si2  1  0.0  0.19  0.92  1.0
  Re  Re3  1  0.0  0.49  0.41  1.0

Ta Re Si Si