data_ZnCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   133.66
_cell_angle_beta   119.36
_cell_angle_gamma   79.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuBi2
_chemical_formula_sum   'Zn1 Cu1 Bi2'
_cell_volume   93.91
_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  0.12  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.7  0.19  1.0
  Bi  Bi1  1  0.11  0.0  0.93  1.0

data_ZnCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   60.64
_cell_angle_beta   66.83
_cell_angle_gamma   66.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuBi2
_chemical_formula_sum   'Zn1 Cu1 Bi2'
_cell_volume   93.91
_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  0.12  -0.0  0.88  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.19  0.0  0.52  1.0
  Bi  Bi3  1  0.82  0.11  0.07  1.0

Zn Cu Bi Bi
Zn Cu Bi Bi 0 1 o o o 0 2 o - o 1 3 o o - 