data_HfMg2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.85
_cell_angle_beta   134.85
_cell_angle_gamma   65.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ta
_chemical_formula_sum   'Hf1 Mg2 Ta1'
_cell_volume   80.66
_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  0.1  0.0  0.29  1.0
  Mg  Mg2  1  0.0  0.1  0.29  1.0
  Ta  Ta3  1  0.0  0.0  0.59  1.0

data_HfMg2Ta
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   122.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2Ta
_chemical_formula_sum   'Hf2 Mg4 Ta2'
_cell_volume   161.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mg  Mg1  4  0.25  0.45  0.8  1.0
  Ta  Ta2  2  0.41  0.0  0.41  1.0

Hf Mg Mg Ta