data_SrIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn3
_chemical_formula_sum   'Sr1 In3'
_cell_volume   137.11
_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  Sr3  1  0.0  0.0  0.0  1.0
  In  In0  1  1.0  0.61  0.31  1.0
  In  In1  1  1.0  0.61  0.41  1.0
  In  In2  1  0.0  0.0  0.86  1.0

data_SrIn3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   7.84
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrIn3
_chemical_formula_sum   'Sr2 In6'
_cell_volume   274.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.86  1.0
  In  In2  2  0.11  0.5  0.31  1.0
  In  In3  2  0.11  0.5  0.41  1.0

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