data_HfTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   139.21
_cell_angle_beta   133.01
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Zn
_chemical_formula_sum   'Hf1 Ta2 Zn1'
_cell_volume   73.4
_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
  Ta  Ta1  1  0.87  0.0  0.2  1.0
  Ta  Ta2  1  0.0  0.14  0.36  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_HfTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.29
_cell_length_c   5.38
_cell_angle_alpha   113.5
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Zn
_chemical_formula_sum   'Hf1 Ta2 Zn1'
_cell_volume   73.4
_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  0.56  0.56  1.0
  Ta  Ta1  1  0.0  0.2  0.32  1.0
  Ta  Ta2  1  0.86  0.22  0.22  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Hf Ta Ta Zn
Hf Ta Ta Zn 0 2 o o o 0 1 - o o 1 2 + o o 1 3 + o o 2 3 o o o 