data_ZnCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   128.01
_cell_angle_beta   120.07
_cell_angle_gamma   83.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoBi2
_chemical_formula_sum   'Zn1 Co1 Bi2'
_cell_volume   85.65
_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
  Zn  Zn3  1  0.0  0.0  0.79  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.23  0.0  0.8  1.0
  Bi  Bi1  1  0.0  0.54  0.99  1.0

data_ZnCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   5.07
_cell_length_c   5.08
_cell_angle_alpha   119.96
_cell_angle_beta   115.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoBi2
_chemical_formula_sum   'Zn1 Co1 Bi2'
_cell_volume   85.65
_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
  Zn  Zn0  1  0.0  0.79  0.79  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.8  0.57  1.0
  Bi  Bi3  1  0.46  0.46  0.46  1.0

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