data_YFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.76
_cell_angle_alpha   98.98
_cell_angle_beta   98.98
_cell_angle_gamma   111.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Re
_chemical_formula_sum   'Y1 Fe2 Re1'
_cell_volume   62.31
_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
  Fe  Fe0  1  0.03  0.08  0.33  1.0
  Fe  Fe1  1  0.03  0.92  0.33  1.0
  Re  Re2  1  0.83  0.0  0.0  1.0

data_YFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   111.41
_cell_angle_beta   98.98
_cell_angle_gamma   98.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Re
_chemical_formula_sum   'Y1 Fe2 Re1'
_cell_volume   62.31
_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
  Fe  Fe1  1  0.33  0.03  0.08  1.0
  Fe  Fe2  1  0.33  0.03  0.92  1.0
  Re  Re3  1  0.0  0.83  0.0  1.0

Y Fe Fe Re