data_Bi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2P
_chemical_formula_sum   'Bi16 P8'
_cell_volume   637.83
_cell_formula_units_Z   8
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
  Bi  Bi0  1  0.71  0.12  0.12  1.0
  Bi  Bi1  1  0.12  0.71  0.12  1.0
  Bi  Bi2  1  0.71  0.71  0.71  1.0
  Bi  Bi3  1  0.12  0.12  0.71  1.0
  Bi  Bi4  1  0.25  0.25  0.82  1.0
  Bi  Bi5  1  0.68  0.25  0.25  1.0
  Bi  Bi6  1  0.25  0.68  0.25  1.0
  Bi  Bi7  1  0.25  0.82  0.25  1.0
  Bi  Bi8  1  0.82  0.25  0.25  1.0
  Bi  Bi9  1  0.25  0.25  0.68  1.0
  Bi  Bi10  1  0.83  0.83  0.27  1.0
  Bi  Bi11  1  0.4  0.83  0.83  1.0
  Bi  Bi12  1  0.83  0.4  0.83  1.0
  Bi  Bi13  1  0.83  0.27  0.83  1.0
  Bi  Bi14  1  0.27  0.83  0.83  1.0
  Bi  Bi15  1  0.83  0.83  0.4  1.0
  P  P16  1  0.94  0.94  0.73  1.0
  P  P17  1  0.73  0.73  0.73  1.0
  P  P18  1  0.94  0.73  0.94  1.0
  P  P19  1  0.73  0.94  0.94  1.0
  P  P20  1  0.15  0.15  0.35  1.0
  P  P21  1  0.35  0.35  0.35  1.0
  P  P22  1  0.15  0.35  0.15  1.0
  P  P23  1  0.35  0.15  0.15  1.0

data_Bi2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   23.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Bi2P
_chemical_formula_sum   'Bi48 P24'
_cell_volume   1913.5
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Bi  Bi0  9  0.04  0.52  0.27  1.0
  Bi  Bi1  9  0.04  0.52  0.69  1.0
  Bi  Bi2  9  0.19  0.38  0.56  1.0
  Bi  Bi3  9  0.19  0.81  0.98  1.0
  Bi  Bi4  9  0.19  0.39  0.68  1.0
  Bi  Bi5  3  0.0  0.0  0.29  1.0
  P  P6  9  0.07  0.14  0.79  1.0
  P  P7  9  0.14  0.07  0.13  1.0
  P  P8  3  0.0  0.0  0.27  1.0
  P  P9  3  0.0  0.0  0.65  1.0

Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi P P P P P P P P