data_Hf2MgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   135.72
_cell_angle_beta   135.72
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgRu
_chemical_formula_sum   'Hf2 Mg1 Ru1'
_cell_volume   75.08
_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  0.56  1.0
  Hf  Hf1  1  0.0  0.03  0.28  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.03  0.0  0.28  1.0

data_Hf2MgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.39
_cell_angle_alpha   112.14
_cell_angle_beta   112.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgRu
_chemical_formula_sum   'Hf2 Mg1 Ru1'
_cell_volume   75.08
_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  0.44  0.0  0.44  1.0
  Hf  Hf1  1  0.75  0.03  0.75  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.72  0.0  0.75  1.0

Hf Hf Mg Ru
Hf Hf Mg Ru 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 