data_HfMg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.55
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Re
_chemical_formula_sum   'Hf1 Mg2 Re1'
_cell_volume   74.86
_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  0.02  0.0  0.19  1.0
  Mg  Mg1  1  0.77  0.27  0.05  1.0
  Mg  Mg2  1  0.81  0.0  0.5  1.0
  Re  Re3  1  0.89  0.27  0.93  1.0

data_HfMg2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.55
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Re
_chemical_formula_sum   'Hf1 Mg2 Re1'
_cell_volume   74.86
_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  0.02  0.0  0.19  1.0
  Mg  Mg1  1  0.77  0.27  0.05  1.0
  Mg  Mg2  1  0.81  0.0  0.5  1.0
  Re  Re3  1  0.89  0.27  0.93  1.0

Hf Mg Mg Re