data_YRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   2.97
_cell_angle_alpha   103.48
_cell_angle_beta   103.48
_cell_angle_gamma   115.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Sn
_chemical_formula_sum   'Y1 Re2 Sn1'
_cell_volume   75.65
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.84  0.38  0.34  1.0
  Re  Re1  1  0.84  0.62  0.34  1.0
  Sn  Sn2  1  0.98  0.0  0.0  1.0

data_YRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.36
_cell_length_c   5.61
_cell_angle_alpha   117.41
_cell_angle_beta   103.48
_cell_angle_gamma   93.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2Sn
_chemical_formula_sum   'Y1 Re2 Sn1'
_cell_volume   75.65
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.71  0.38  0.21  1.0
  Re  Re2  1  0.96  0.62  0.46  1.0
  Sn  Sn3  1  0.0  0.0  0.98  1.0

Y Re Re Sn
Y Re Re Sn 0 3 - o o 1 2 o o o 