data_Sr2ZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   7.74
_cell_angle_alpha   102.0
_cell_angle_beta   102.0
_cell_angle_gamma   47.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnBi
_chemical_formula_sum   'Sr2 Zn1 Bi1'
_cell_volume   149.93
_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  0.68  0.0  0.88  1.0
  Sr  Sr2  1  0.02  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.85  0.0  0.77  1.0

data_Sr2ZnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   5.18
_cell_length_c   7.74
_cell_angle_alpha   102.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnBi
_chemical_formula_sum   'Sr2 Zn1 Bi1'
_cell_volume   149.93
_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  0.32  0.12  1.0
  Sr  Sr1  1  0.0  0.98  0.35  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.15  0.23  1.0

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