data_ZnGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   5.17
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   96.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSn2
_chemical_formula_sum   'Zn1 Ga1 Sn2'
_cell_volume   92.53
_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  0.29  0.0  0.74  1.0
  Ga  Ga0  1  0.51  0.59  0.09  1.0
  Sn  Sn1  1  0.43  0.0  0.36  1.0
  Sn  Sn2  1  0.21  0.59  0.48  1.0

data_ZnGaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.17
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   96.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSn2
_chemical_formula_sum   'Zn1 Ga1 Sn2'
_cell_volume   92.53
_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  0.29  0.0  0.74  1.0
  Ga  Ga1  1  0.51  0.59  0.09  1.0
  Sn  Sn2  1  0.21  0.59  0.48  1.0
  Sn  Sn3  1  0.43  0.0  0.36  1.0

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