data_HfTa2Re
_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   138.91
_cell_angle_beta   138.91
_cell_angle_gamma   59.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Re
_chemical_formula_sum   'Hf1 Ta2 Re1'
_cell_volume   72.91
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.95  0.41  1.0
  Ta  Ta3  1  0.95  0.0  0.41  1.0
  Re  Re1  1  0.0  0.0  0.81  1.0

data_HfTa2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   119.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTa2Re
_chemical_formula_sum   'Hf2 Ta4 Re2'
_cell_volume   145.83
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.47  0.47  0.54  1.0
  Re  Re2  2  0.0  0.0  0.19  1.0

Hf Ta Ta Re
Hf Ta Ta Re 0 3 o o - 1 2 - + o 