data_HfMgRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   135.39
_cell_angle_beta   135.39
_cell_angle_gamma   64.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgRe2
_chemical_formula_sum   'Hf1 Mg1 Re2'
_cell_volume   67.99
_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  0.38  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.97  0.0  0.19  1.0
  Re  Re3  1  0.0  0.97  0.19  1.0

data_HfMgRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   122.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgRe2
_chemical_formula_sum   'Hf2 Mg2 Re4'
_cell_volume   135.99
_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  0.12  0.5  0.62  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Re  Re2  4  0.3  0.49  0.78  1.0

Hf Mg Re Re