data_ZrCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   136.82
_cell_angle_beta   127.45
_cell_angle_gamma   70.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdBi2
_chemical_formula_sum   'Zr1 Cd1 Bi2'
_cell_volume   104.79
_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  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.76  1.0
  Bi  Bi0  1  0.0  0.57  0.4  1.0
  Bi  Bi1  1  0.14  0.0  0.36  1.0

data_ZrCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   5.15
_cell_length_c   5.82
_cell_angle_alpha   116.28
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdBi2
_chemical_formula_sum   'Zr1 Cd1 Bi2'
_cell_volume   104.79
_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  0.0  1.0
  Cd  Cd1  1  0.0  0.76  0.76  1.0
  Bi  Bi2  1  0.0  0.36  0.22  1.0
  Bi  Bi3  1  0.43  0.82  0.82  1.0

Zr Cd Bi Bi
Zr Cd Bi Bi 0 1 o o - 0 3 o o o 1 2 o - o 