data_BaIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   5.09
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Sn
_chemical_formula_sum   'Ba1 In2 Sn1'
_cell_volume   134.81
_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
  Ba  Ba0  1  0.83  0.54  0.41  1.0
  In  In1  1  0.0  0.0  0.02  1.0
  In  In2  1  0.83  0.54  0.81  1.0
  Sn  Sn3  1  0.0  0.0  0.6  1.0

data_BaIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.09
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Sn
_chemical_formula_sum   'Ba1 In2 Sn1'
_cell_volume   134.81
_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
  Ba  Ba0  1  0.83  0.54  0.41  1.0
  In  In1  1  0.0  0.0  0.02  1.0
  In  In2  1  0.83  0.54  0.81  1.0
  Sn  Sn3  1  0.0  0.0  0.6  1.0

Ba In In Sn
Ba In In Sn 0 3 + o o 0 3 + + o 0 2 o o o 1 2 - - - 1 2 - o - 1 3 o o - 2 3 + o o 2 3 + + o 