data_YTiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiP2
_chemical_formula_sum   'Y1 Ti1 P2'
_cell_volume   72.21
_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  0.46  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  P  P0  1  0.01  0.0  0.37  1.0
  P  P1  1  0.01  0.0  0.55  1.0

data_YTiP2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.03
_cell_length_b   5.18
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   YTiP2
_chemical_formula_sum   'Y2 Ti2 P4'
_cell_volume   144.41
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Y  Y0  2  0.0  0.0  0.54  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.45  1.0
  P  P3  2  0.0  0.0  0.63  1.0

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