data_ZnIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.85
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sn
_chemical_formula_sum   'Zn1 In2 Sn1'
_cell_volume   101.08
_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
  Zn  Zn3  1  0.69  0.0  0.62  1.0
  In  In0  1  0.63  0.42  0.08  1.0
  In  In1  1  0.08  0.0  0.54  1.0
  Sn  Sn2  1  0.52  0.42  0.21  1.0

data_ZnIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.85
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sn
_chemical_formula_sum   'Zn1 In2 Sn1'
_cell_volume   101.08
_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
  Zn  Zn0  1  0.69  0.0  0.62  1.0
  In  In1  1  0.08  0.0  0.54  1.0
  In  In2  1  0.63  0.42  0.08  1.0
  Sn  Sn3  1  0.52  0.42  0.21  1.0

Zn In In Sn