data_YTiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   132.73
_cell_angle_beta   112.57
_cell_angle_gamma   86.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiP2
_chemical_formula_sum   'Y1 Ti1 P2'
_cell_volume   74.15
_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
  Y  Y3  1  0.0  0.0  0.54  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  P  P0  1  0.95  0.0  0.6  1.0
  P  P1  1  0.0  0.69  0.94  1.0

data_YTiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   67.43
_cell_angle_beta   66.37
_cell_angle_gamma   66.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiP2
_chemical_formula_sum   'Y1 Ti1 P2'
_cell_volume   74.15
_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
  Y  Y0  1  0.0  0.0  0.54  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.05  0.6  1.0
  P  P3  1  0.69  -0.0  0.25  1.0

Y Ti P P
Y Ti P P 0 2 - o o 1 3 o - - 