data_SrNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2In
_chemical_formula_sum   'Sr1 Nb2 In1'
_cell_volume   99.53
_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  0.89  1.0
  Nb  Nb1  1  0.0  0.0  0.26  1.0
  Nb  Nb2  1  0.77  0.77  0.4  1.0
  In  In0  1  0.77  0.77  0.35  1.0

data_SrNb2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNb2In
_chemical_formula_sum   'Sr2 Nb4 In2'
_cell_volume   199.07
_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  0.89  1.0
  Nb  Nb1  2  0.0  0.0  0.26  1.0
  Nb  Nb2  2  0.27  0.5  0.4  1.0
  In  In3  2  0.27  0.5  0.35  1.0

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