data_HfCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRe
_chemical_formula_sum   'Hf1 Co1 Re1'
_cell_volume   47.36
_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
  Hf  Hf1  1  0.0  0.55  0.89  1.0
  Co  Co0  1  0.0  0.0  0.75  1.0
  Re  Re2  1  0.21  0.28  0.96  1.0

data_HfCoRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRe
_chemical_formula_sum   'Hf1 Co1 Re1'
_cell_volume   47.36
_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
  Hf  Hf0  1  0.89  0.0  0.55  1.0
  Co  Co1  1  0.75  0.0  0.0  1.0
  Re  Re2  1  0.96  0.21  0.28  1.0

Hf Co Re
Hf Co Re 0 1 o + o 0 2 o o o 1 2 o o o 