data_La5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5P3
_chemical_formula_sum   'La5 P3'
_cell_volume   216.37
_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  0.05  0.0  0.0  1.0
  La  La1  1  0.03  0.06  0.0  1.0
  La  La2  1  0.03  0.94  0.0  1.0
  La  La3  1  0.3  0.0  0.27  1.0
  La  La4  1  0.8  0.0  0.27  1.0
  P  P5  1  0.0  0.0  0.0  1.0
  P  P6  1  0.05  0.11  0.27  1.0
  P  P7  1  0.05  0.89  0.27  1.0

data_La5P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   110.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5P3
_chemical_formula_sum   'La5 P3'
_cell_volume   216.37
_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  0.05  0.0  1.0
  La  La1  1  0.0  0.03  0.06  1.0
  La  La2  1  0.0  0.03  0.94  1.0
  La  La3  1  0.27  0.3  0.0  1.0
  La  La4  1  0.27  0.8  0.0  1.0
  P  P5  1  0.0  0.0  0.0  1.0
  P  P6  1  0.27  0.05  0.11  1.0
  P  P7  1  0.27  0.05  0.89  1.0

La La La La La P P P
La La La La La P P P 0 2 o - o 0 5 o o o 0 6 o o o 0 7 o - o 1 5 o o o 1 4 - o o 1 6 o o o 2 7 o o o 3 7 o - o 4 5 + o o 4 6 + o o 5 6 o o o 5 7 o - o 6 7 o - o 