data_Ta2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.0
_cell_angle_alpha   99.03
_cell_angle_beta   99.03
_cell_angle_gamma   31.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAg
_chemical_formula_sum   'Ta2 Cd1 Ag1'
_cell_volume   74.52
_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
  Ta  Ta2  1  0.01  0.0  0.71  1.0
  Ta  Ta3  1  0.6  0.0  0.22  1.0
  Cd  Cd1  1  0.81  0.0  0.46  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ta2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.0
_cell_length_c   5.41
_cell_angle_alpha   99.03
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAg
_chemical_formula_sum   'Ta2 Cd1 Ag1'
_cell_volume   74.52
_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
  Ta  Ta0  1  0.0  0.22  0.6  1.0
  Ta  Ta1  1  0.0  0.71  0.01  1.0
  Cd  Cd2  1  0.0  0.46  0.81  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Ta Ta Cd Ag
Ta Ta Cd Ag 0 2 - o o 0 3 o o + 1 2 o o o 