data_SnB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2P
_chemical_formula_sum   'Sn1 B2 P1'
_cell_volume   68.49
_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
  Sn  Sn3  1  0.53  0.0  0.25  1.0
  B  B0  1  0.0  0.0  0.3  1.0
  B  B1  1  0.53  0.0  0.63  1.0
  P  P2  1  0.0  0.0  0.34  1.0

data_SnB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.55
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2P
_chemical_formula_sum   'Sn1 B2 P1'
_cell_volume   68.49
_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
  Sn  Sn0  1  0.0  0.53  0.25  1.0
  B  B1  1  0.0  0.0  0.3  1.0
  B  B2  1  0.0  0.53  0.63  1.0
  P  P3  1  0.0  0.0  0.34  1.0

Sn B B P
Sn B B P 0 3 o o o 0 3 + o o 0 1 o o o 0 1 + o o 0 2 o o o 1 3 o o o 1 2 o o o 1 2 - o o 2 2 + + o 2 3 o o o 2 3 + o o 