data_HfMg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   2.99
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   122.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ir
_chemical_formula_sum   'Hf1 Mg2 Ir1'
_cell_volume   74.28
_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
  Mg  Mg2  1  0.69  0.47  0.33  1.0
  Mg  Mg3  1  0.69  0.53  0.33  1.0
  Ir  Ir1  1  0.76  0.0  0.0  1.0

data_HfMg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.92
_cell_length_c   5.77
_cell_angle_alpha   113.73
_cell_angle_beta   102.76
_cell_angle_gamma   95.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ir
_chemical_formula_sum   'Hf1 Mg2 Ir1'
_cell_volume   74.28
_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
  Mg  Mg1  1  0.79  0.47  0.15  1.0
  Mg  Mg2  1  0.86  0.53  0.22  1.0
  Ir  Ir3  1  0.0  0.0  0.76  1.0

Hf Mg Mg Ir