data_Cd2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.25
_cell_angle_alpha   108.8
_cell_angle_beta   108.8
_cell_angle_gamma   47.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiP
_chemical_formula_sum   'Cd2 Bi1 P1'
_cell_volume   101.05
_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
  Cd  Cd1  1  0.75  0.0  0.18  1.0
  Cd  Cd2  1  0.3  0.0  0.66  1.0
  Bi  Bi0  1  0.12  0.0  0.44  1.0
  P  P3  1  0.78  0.0  0.5  1.0

data_Cd2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.85
_cell_length_c   6.25
_cell_angle_alpha   108.8
_cell_angle_beta   90.0
_cell_angle_gamma   113.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiP
_chemical_formula_sum   'Cd2 Bi1 P1'
_cell_volume   101.05
_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
  Cd  Cd0  1  0.0  0.25  0.82  1.0
  Cd  Cd1  1  0.0  0.7  0.34  1.0
  Bi  Bi2  1  0.0  0.88  0.56  1.0
  P  P3  1  0.0  0.22  0.5  1.0

Cd Cd Bi P
Cd Cd Bi P 0 2 + o o 0 3 o o o 1 2 o o o 2 3 - o o 