data_ZrSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Bi
_chemical_formula_sum   'Zr1 Sn2 Bi1'
_cell_volume   106.7
_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  Zr3  1  0.0  0.0  0.8  1.0
  Sn  Sn1  1  0.0  0.0  0.08  1.0
  Sn  Sn2  1  0.14  0.0  0.84  1.0
  Bi  Bi0  1  0.14  0.0  0.61  1.0

data_ZrSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Bi
_chemical_formula_sum   'Zr1 Sn2 Bi1'
_cell_volume   106.7
_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  Zr0  1  0.0  0.0  0.8  1.0
  Sn  Sn1  1  0.0  0.0  0.08  1.0
  Sn  Sn2  1  0.14  0.0  0.84  1.0
  Bi  Bi3  1  0.14  0.0  0.61  1.0

Zr Sn Sn Bi
Zr Sn Sn Bi 0 2 o o o 0 1 o o + 0 3 o o o 1 2 o o - 2 3 o o o 