data_HfMg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   145.3
_cell_angle_beta   133.99
_cell_angle_gamma   58.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Te
_chemical_formula_sum   'Hf1 Mg2 Te1'
_cell_volume   89.63
_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  0.26  1.0
  Mg  Mg1  1  0.8  0.0  0.55  1.0
  Mg  Mg2  1  0.0  0.36  0.71  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_HfMg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.72
_cell_length_c   6.04
_cell_angle_alpha   113.01
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Te
_chemical_formula_sum   'Hf1 Mg2 Te1'
_cell_volume   89.63
_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  0.26  0.26  1.0
  Mg  Mg1  1  0.0  0.55  0.75  1.0
  Mg  Mg2  1  0.64  0.35  0.35  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Hf Mg Mg Te