data_Bi3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3P
_chemical_formula_sum   'Bi3 P1'
_cell_volume   109.77
_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
  Bi  Bi0  1  0.51  0.0  0.87  1.0
  Bi  Bi1  1  0.0  0.0  0.26  1.0
  Bi  Bi2  1  0.51  0.0  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Bi3P
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Bi3P
_chemical_formula_sum   'Bi3 P1'
_cell_volume   109.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.0  0.26  1.0
  Bi  Bi1  1  0.5  0.0  0.65  1.0
  Bi  Bi2  1  0.5  0.0  0.87  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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