data_TiSi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   139.53
_cell_angle_beta   139.53
_cell_angle_gamma   58.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2P
_chemical_formula_sum   'Ti1 Si2 P1'
_cell_volume   58.23
_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  0.52  1.0
  Si  Si1  1  0.79  0.0  0.26  1.0
  Si  Si2  1  0.0  0.79  0.26  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_TiSi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   119.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSi2P
_chemical_formula_sum   'Ti2 Si4 P2'
_cell_volume   116.46
_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  0.48  1.0
  Si  Si1  4  0.4  0.4  0.53  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ti Si Si P