data_TiSnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   29.96
_cell_angle_beta   29.96
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnP2
_chemical_formula_sum   'Ti1 Sn1 P2'
_cell_volume   79.59
_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
  Ti  Ti3  1  0.0  0.0  0.38  1.0
  Sn  Sn2  1  0.0  0.0  0.04  1.0
  P  P0  1  0.0  0.0  0.18  1.0
  P  P1  1  0.0  0.0  0.34  1.0

data_TiSnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   3.68
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSnP2
_chemical_formula_sum   'Ti2 Sn2 P4'
_cell_volume   159.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  -0.0  0.0  0.62  1.0
  Sn  Sn1  2  -0.0  0.0  0.96  1.0
  P  P2  2  -0.0  0.0  0.66  1.0
  P  P3  2  -0.0  0.0  0.82  1.0

Ti Sn P P