data_Sr2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   136.52
_cell_angle_beta   136.52
_cell_angle_gamma   63.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiBi
_chemical_formula_sum   'Sr2 Ni1 Bi1'
_cell_volume   118.56
_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  0.34  0.0  0.7  1.0
  Sr  Sr3  1  0.0  0.0  0.39  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.34  0.7  1.0

data_Sr2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.33
_cell_angle_alpha   111.74
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiBi
_chemical_formula_sum   'Sr2 Ni1 Bi1'
_cell_volume   118.56
_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  0.39  0.39  0.39  1.0
  Sr  Sr1  1  0.7  0.35  0.35  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.35  0.7  0.35  1.0

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