data_Sr3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Bi
_chemical_formula_sum   'Sr3 Bi1'
_cell_volume   171.45
_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  Sr1  1  0.9  0.28  0.07  1.0
  Sr  Sr2  1  0.9  0.72  0.07  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.81  0.0  0.0  1.0

data_Sr3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   109.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Bi
_chemical_formula_sum   'Sr3 Bi1'
_cell_volume   171.45
_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  0.07  0.9  0.28  1.0
  Sr  Sr2  1  0.07  0.9  0.72  1.0
  Bi  Bi3  1  0.0  0.81  0.0  1.0

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