data_La2TiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.28
_cell_angle_alpha   108.86
_cell_angle_beta   108.86
_cell_angle_gamma   35.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiP
_chemical_formula_sum   'La2 Ti1 P1'
_cell_volume   99.66
_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
  La  La0  1  0.1  0.0  0.13  1.0
  La  La1  1  0.14  0.0  0.31  1.0
  Ti  Ti3  1  0.63  0.0  0.42  1.0
  P  P2  1  0.28  0.0  0.59  1.0

data_La2TiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.28
_cell_length_c   5.89
_cell_angle_alpha   108.86
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiP
_chemical_formula_sum   'La2 Ti1 P1'
_cell_volume   99.66
_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
  La  La0  1  0.0  0.13  0.1  1.0
  La  La1  1  0.0  0.31  0.14  1.0
  Ti  Ti2  1  0.0  0.42  0.63  1.0
  P  P3  1  0.0  0.59  0.28  1.0

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