data_ZrSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   156.62
_cell_angle_beta   156.62
_cell_angle_gamma   33.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnBi
_chemical_formula_sum   'Zr1 Sn1 Bi1'
_cell_volume   81.06
_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
  Zr  Zr2  1  0.0  0.0  0.28  1.0
  Sn  Sn1  1  0.0  0.0  0.81  1.0
  Bi  Bi0  1  0.0  0.0  0.27  1.0

data_ZrSnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSnBi
_chemical_formula_sum   'Zr2 Sn2 Bi2'
_cell_volume   162.12
_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
  Zr  Zr0  2  0.28  0.0  0.28  1.0
  Sn  Sn1  2  0.31  0.5  0.81  1.0
  Bi  Bi2  2  0.27  0.0  0.27  1.0

Zr Sn Bi
Zr Sn Bi 0 2 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o + 