data_SrTiIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiIn2
_chemical_formula_sum   'Sr1 Ti1 In2'
_cell_volume   108.56
_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
  Sr  Sr2  1  0.46  0.0  0.34  1.0
  Ti  Ti3  1  0.0  0.0  0.75  1.0
  In  In0  1  0.46  0.0  0.16  1.0
  In  In1  1  0.0  0.0  0.89  1.0

data_SrTiIn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrTiIn2
_chemical_formula_sum   'Sr1 Ti1 In2'
_cell_volume   108.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  1  0.46  0.0  0.34  1.0
  Ti  Ti1  1  0.0  0.0  0.75  1.0
  In  In2  1  0.0  0.0  0.89  1.0
  In  In3  1  0.46  0.0  0.16  1.0

Sr Ti In In