data_BaSrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrIn2
_chemical_formula_sum   'Ba1 Sr1 In2'
_cell_volume   144.79
_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  0.0  0.0  0.27  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.89  0.0  0.6  1.0
  In  In2  1  0.89  0.0  0.95  1.0

data_BaSrIn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaSrIn2
_chemical_formula_sum   'Ba1 Sr1 In2'
_cell_volume   144.81
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.89  0.0  0.6  1.0
  In  In3  1  0.89  0.0  0.95  1.0

Ba Sr In In
Ba Sr In In 0 3 - o - 0 2 - o o 0 1 o o o 1 3 - o - 1 2 - o - 2 3 o o o 