data_Sr2TiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.08
_cell_angle_alpha   101.12
_cell_angle_beta   101.12
_cell_angle_gamma   35.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiIn
_chemical_formula_sum   'Sr2 Ti1 In1'
_cell_volume   126.63
_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  Sr1  1  0.95  0.0  0.48  1.0
  Sr  Sr2  1  0.37  0.0  0.47  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.16  0.0  0.98  1.0

data_Sr2TiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   6.06
_cell_length_c   6.08
_cell_angle_alpha   101.12
_cell_angle_beta   90.0
_cell_angle_gamma   107.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiIn
_chemical_formula_sum   'Sr2 Ti1 In1'
_cell_volume   126.63
_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  Sr0  1  0.0  0.05  0.52  1.0
  Sr  Sr1  1  0.0  0.63  0.53  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.84  0.02  1.0

Sr Sr Ti In