data_BaSnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   4.73
_cell_angle_alpha   96.23
_cell_angle_beta   96.23
_cell_angle_gamma   41.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnP2
_chemical_formula_sum   'Ba1 Sn1 P2'
_cell_volume   114.94
_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
  Ba  Ba0  1  0.62  0.0  0.08  1.0
  Sn  Sn3  1  0.51  0.0  0.83  1.0
  P  P1  1  0.72  0.0  0.4  1.0
  P  P2  1  0.77  0.0  0.44  1.0

data_BaSnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.73
_cell_length_c   6.06
_cell_angle_alpha   96.23
_cell_angle_beta   110.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnP2
_chemical_formula_sum   'Ba1 Sn1 P2'
_cell_volume   114.94
_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
  Ba  Ba0  1  0.0  0.08  0.62  1.0
  Sn  Sn1  1  0.0  0.83  0.51  1.0
  P  P2  1  0.0  0.4  0.72  1.0
  P  P3  1  0.0  0.44  0.77  1.0

Ba Sn P P
Ba Sn P P 0 1 o o - 2 3 o o o 