data_Y2HfRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   137.57
_cell_angle_beta   137.57
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfRe
_chemical_formula_sum   'Y2 Hf1 Re1'
_cell_volume   90.13
_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  Y2  1  0.0  0.12  0.51  1.0
  Y  Y3  1  0.12  0.0  0.51  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.03  1.0

data_Y2HfRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   120.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HfRe
_chemical_formula_sum   'Y4 Hf2 Re2'
_cell_volume   180.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.05  0.44  0.6  1.0
  Hf  Hf1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.47  0.5  0.97  1.0

Y Y Hf Re