data_TaAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Sn
_chemical_formula_sum   'Ta1 Ag2 Sn1'
_cell_volume   77.6
_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  Ta3  1  0.86  0.0  0.0  1.0
  Ag  Ag0  1  0.43  0.69  0.47  1.0
  Ag  Ag1  1  0.43  0.31  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_TaAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   116.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Sn
_chemical_formula_sum   'Ta1 Ag2 Sn1'
_cell_volume   77.6
_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  0.86  0.0  1.0
  Ag  Ag1  1  0.47  0.43  0.69  1.0
  Ag  Ag2  1  0.47  0.43  0.31  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

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