data_SiBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.56
_cell_angle_alpha   92.52
_cell_angle_beta   92.52
_cell_angle_gamma   91.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi2P
_chemical_formula_sum   'Si1 Bi2 P1'
_cell_volume   92.5
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.66  0.83  0.78  1.0
  Bi  Bi1  1  0.66  0.17  0.78  1.0
  P  P2  1  0.55  0.0  0.0  1.0

data_SiBi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   91.72
_cell_angle_beta   92.52
_cell_angle_gamma   92.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi2P
_chemical_formula_sum   'Si1 Bi2 P1'
_cell_volume   92.5
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.78  0.66  0.17  1.0
  Bi  Bi2  1  0.78  0.66  0.83  1.0
  P  P3  1  0.0  0.55  0.0  1.0

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