data_BaSr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Bi
_chemical_formula_sum   'Ba1 Sr2 Bi1'
_cell_volume   187.81
_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  0.2  1.0
  Sr  Sr2  1  0.0  0.0  0.68  1.0
  Sr  Sr3  1  0.25  0.25  0.12  1.0
  Bi  Bi1  1  0.25  0.25  0.14  1.0

data_BaSr2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2Bi
_chemical_formula_sum   'Ba2 Sr4 Bi2'
_cell_volume   375.61
_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
  Ba  Ba0  2  0.0  0.0  0.2  1.0
  Sr  Sr1  2  0.0  0.0  0.68  1.0
  Sr  Sr2  2  0.25  0.0  0.12  1.0
  Bi  Bi3  2  0.25  0.0  0.14  1.0

Ba Sr Sr Bi
Ba Sr Sr Bi 0 3 o o o 0 2 o o o 0 1 o o o 0 1 o o - 1 2 - o + 1 2 o - + 1 2 o o + 1 1 + o o 1 1 o + o 1 3 o o o 1 3 o o + 2 3 o o o 
BaSr2Bi crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one Sr(1) and one Bi(1) atom. The Ba(1)-Sr(1) bond length is 4.51 Å. The Ba(1)-Bi(1) bond length is 1.69 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one Ba(1), one Sr(2), and four equivalent Sr(1) atoms. The Sr(1)-Sr(2) bond length is 4.33 Å. All Sr(1)-Sr(1) bond lengths are 4.50 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(1) and one Bi(1) atom. The Sr(2)-Bi(1) bond length is 0.20 Å. Bi(1) is bonded in a single-bond geometry to one Ba(1) and one Sr(2) atom.