data_Hf2MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   136.97
_cell_angle_beta   136.97
_cell_angle_gamma   62.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgSi
_chemical_formula_sum   'Hf2 Mg1 Si1'
_cell_volume   76.74
_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  0.71  1.0
  Hf  Hf1  1  0.0  0.02  0.35  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.02  0.0  0.35  1.0

data_Hf2MgSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.5
_cell_angle_alpha   111.52
_cell_angle_beta   111.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgSi
_chemical_formula_sum   'Hf2 Mg1 Si1'
_cell_volume   76.74
_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  0.29  0.0  0.29  1.0
  Hf  Hf1  1  0.67  0.02  0.67  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.65  0.0  0.67  1.0

Hf Hf Mg Si