data_Sr2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.53
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InBi
_chemical_formula_sum   'Sr2 In1 Bi1'
_cell_volume   139.25
_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  0.0  0.27  0.95  1.0
  Sr  Sr3  1  0.0  0.27  0.73  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.84  1.0

data_Sr2InBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.53
_cell_length_b   4.0
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2InBi
_chemical_formula_sum   'Sr2 In1 Bi1'
_cell_volume   139.25
_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  0.27  0.0  0.73  1.0
  Sr  Sr1  1  0.27  0.0  0.95  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.84  1.0

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