data_TaZnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   136.26
_cell_angle_beta   128.98
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSn2
_chemical_formula_sum   'Ta1 Zn1 Sn2'
_cell_volume   80.47
_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  0.0  0.0  0.39  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.99  0.0  0.15  1.0
  Sn  Sn1  1  0.0  0.3  0.24  1.0

data_TaZnSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.6
_cell_length_c   5.34
_cell_angle_alpha   115.51
_cell_angle_beta   111.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSn2
_chemical_formula_sum   'Ta1 Zn1 Sn2'
_cell_volume   80.47
_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  0.61  0.61  0.61  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.76  0.06  0.06  1.0
  Sn  Sn3  1  0.84  0.85  0.84  1.0

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