data_YInRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   143.93
_cell_angle_beta   130.13
_cell_angle_gamma   63.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInRe2
_chemical_formula_sum   'Y1 In1 Re2'
_cell_volume   75.96
_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
  In  In0  1  0.0  0.0  0.73  1.0
  Re  Re1  1  0.0  0.34  0.37  1.0
  Re  Re2  1  0.72  0.0  0.36  1.0

data_YInRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.68
_cell_length_c   5.55
_cell_angle_alpha   114.94
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInRe2
_chemical_formula_sum   'Y1 In1 Re2'
_cell_volume   75.96
_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
  In  In1  1  0.27  0.27  0.27  1.0
  Re  Re2  1  0.36  0.64  0.36  1.0
  Re  Re3  1  0.63  0.97  0.97  1.0

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