data_ZnIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.86
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sn
_chemical_formula_sum   'Zn1 In2 Sn1'
_cell_volume   100.33
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.05  0.43  0.43  1.0
  In  In1  1  0.77  0.43  0.64  1.0
  Sn  Sn2  1  0.21  0.0  0.04  1.0

data_ZnIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.86
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sn
_chemical_formula_sum   'Zn1 In2 Sn1'
_cell_volume   100.33
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.05  0.43  0.43  1.0
  In  In2  1  0.77  0.43  0.64  1.0
  Sn  Sn3  1  0.21  0.0  0.04  1.0

Zn In In Sn
Zn In In Sn 0 3 o o o 1 2 - o o 