data_TiSnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.72
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnP2
_chemical_formula_sum   'Ti1 Sn1 P2'
_cell_volume   75.0
_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  0.64  0.0  0.78  1.0
  Sn  Sn2  1  0.0  0.86  0.3  1.0
  P  P0  1  0.44  0.86  0.91  1.0
  P  P1  1  0.81  0.0  0.86  1.0

data_TiSnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.72
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnP2
_chemical_formula_sum   'Ti1 Sn1 P2'
_cell_volume   75.0
_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  Ti0  1  0.64  0.0  0.78  1.0
  Sn  Sn1  1  0.0  0.86  0.3  1.0
  P  P2  1  0.44  0.86  0.91  1.0
  P  P3  1  0.81  0.0  0.86  1.0

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