data_La3TiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3TiP
_chemical_formula_sum   'La6 Ti2 P2'
_cell_volume   316.29
_cell_formula_units_Z   2
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  0.78  0.6  0.1  1.0
  La  La1  1  0.34  0.6  0.1  1.0
  La  La2  1  0.56  0.69  0.1  1.0
  La  La3  1  0.78  0.3  0.29  1.0
  La  La4  1  0.22  0.3  0.29  1.0
  La  La5  1  0.0  0.2  0.29  1.0
  Ti  Ti8  1  0.0  0.0  0.0  1.0
  Ti  Ti9  1  0.0  0.0  0.2  1.0
  P  P6  1  0.56  0.63  0.29  1.0
  P  P7  1  0.0  0.27  0.1  1.0

data_La3TiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3TiP
_chemical_formula_sum   'La6 Ti2 P2'
_cell_volume   316.29
_cell_formula_units_Z   2
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  0.34  0.6  1.0
  La  La1  1  0.1  0.56  0.69  1.0
  La  La2  1  0.1  0.78  0.6  1.0
  La  La3  1  0.29  0.0  0.2  1.0
  La  La4  1  0.29  0.22  0.3  1.0
  La  La5  1  0.29  0.78  0.3  1.0
  Ti  Ti6  1  0.0  0.0  0.0  1.0
  Ti  Ti7  1  0.2  0.0  0.0  1.0
  P  P8  1  0.1  0.0  0.27  1.0
  P  P9  1  0.29  0.56  0.63  1.0

La La La La La La Ti Ti P P