data_Sr3Bi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Bi5
_chemical_formula_sum   'Sr3 Bi5'
_cell_volume   269.74
_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  Sr5  1  0.0  0.0  0.0  1.0
  Sr  Sr6  1  0.72  0.43  0.65  1.0
  Sr  Sr7  1  0.72  0.57  0.65  1.0
  Bi  Bi0  1  0.72  0.0  0.0  1.0
  Bi  Bi1  1  0.36  0.3  0.0  1.0
  Bi  Bi2  1  0.36  0.7  0.0  1.0
  Bi  Bi3  1  0.14  0.0  0.65  1.0
  Bi  Bi4  1  0.3  0.0  0.65  1.0

data_Sr3Bi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   97.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Bi5
_chemical_formula_sum   'Sr3 Bi5'
_cell_volume   269.74
_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  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.65  0.72  0.43  1.0
  Sr  Sr2  1  0.65  0.72  0.57  1.0
  Bi  Bi3  1  0.0  0.72  0.0  1.0
  Bi  Bi4  1  0.0  0.36  0.7  1.0
  Bi  Bi5  1  0.0  0.36  0.3  1.0
  Bi  Bi6  1  0.65  0.14  0.0  1.0
  Bi  Bi7  1  0.65  0.3  0.0  1.0

Sr Sr Sr Bi Bi Bi Bi Bi
Sr Sr Sr Bi Bi Bi Bi Bi 0 3 - o o 0 6 o o - 0 4 o o o 0 5 o - o 1 2 o o o 1 4 o o + 2 4 o o + 2 5 o o + 3 5 o - o 4 7 o o - 4 6 o o - 4 5 o o o 5 7 o + - 5 6 o + - 6 7 o o o 