data_TaRe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   135.62
_cell_angle_beta   135.62
_cell_angle_gamma   64.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Si
_chemical_formula_sum   'Ta1 Re2 Si1'
_cell_volume   60.44
_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  0.89  0.0  0.12  1.0
  Re  Re0  1  0.0  0.0  0.23  1.0
  Re  Re1  1  0.0  0.89  0.12  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TaRe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.0
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Si
_chemical_formula_sum   'Ta1 Re2 Si1'
_cell_volume   60.44
_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  0.12  0.23  0.23  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.23  0.12  0.23  1.0
  Re  Re3  1  0.23  0.23  0.23  1.0

Ta Re Re Si