data_Hf2MgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   140.03
_cell_angle_beta   129.35
_cell_angle_gamma   66.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgTe
_chemical_formula_sum   'Hf2 Mg1 Te1'
_cell_volume   87.42
_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  0.93  0.0  0.37  1.0
  Hf  Hf1  1  0.0  0.41  0.34  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.71  1.0

data_Hf2MgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.82
_cell_length_c   5.63
_cell_angle_alpha   115.33
_cell_angle_beta   109.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgTe
_chemical_formula_sum   'Hf2 Mg1 Te1'
_cell_volume   87.42
_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  0.37  0.45  1.0
  Hf  Hf1  1  0.59  0.93  0.93  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.71  0.71  1.0

Hf Hf Mg Te
Hf Hf Mg Te 0 3 + o o 1 2 o o o 2 3 o o - 