data_Si2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BiP
_chemical_formula_sum   'Si2 Bi1 P1'
_cell_volume   80.62
_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  Si2  1  0.47  0.84  0.86  1.0
  Si  Si3  1  0.47  0.16  0.86  1.0
  Bi  Bi0  1  0.94  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Si2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   102.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BiP
_chemical_formula_sum   'Si2 Bi1 P1'
_cell_volume   80.62
_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  0.86  0.47  0.16  1.0
  Si  Si1  1  0.86  0.47  0.84  1.0
  Bi  Bi2  1  0.0  0.94  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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