data_HfTa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.01
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Ag
_chemical_formula_sum   'Hf1 Ta2 Ag1'
_cell_volume   76.54
_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  Hf1  1  0.51  0.0  0.41  1.0
  Ta  Ta2  1  0.39  0.0  0.16  1.0
  Ta  Ta3  1  0.62  0.0  0.66  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfTa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.01
_cell_length_c   5.41
_cell_angle_alpha   105.12
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Ag
_chemical_formula_sum   'Hf1 Ta2 Ag1'
_cell_volume   76.54
_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  0.41  0.51  1.0
  Ta  Ta1  1  0.0  0.16  0.39  1.0
  Ta  Ta2  1  0.0  0.66  0.62  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Hf Ta Ta Ag
Hf Ta Ta Ag 0 1 o o o 0 2 o o o 1 3 o o o 2 3 + o + 