data_InGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   5.14
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaSn2
_chemical_formula_sum   'In1 Ga1 Sn2'
_cell_volume   103.36
_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
  In  In1  1  0.14  0.0  0.07  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.05  0.57  0.69  1.0
  Sn  Sn3  1  0.24  0.57  0.45  1.0

data_InGaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.14
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaSn2
_chemical_formula_sum   'In1 Ga1 Sn2'
_cell_volume   103.36
_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
  In  In0  1  0.14  0.0  0.07  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.05  0.57  0.69  1.0
  Sn  Sn3  1  0.24  0.57  0.45  1.0

In Ga Sn Sn
In Ga Sn Sn 0 1 o o o 2 3 o o o 