data_La2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BP
_chemical_formula_sum   'La2 B1 P1'
_cell_volume   87.91
_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  La1  1  0.66  0.85  0.79  1.0
  La  La2  1  0.66  0.15  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.31  0.0  0.0  1.0

data_La2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   96.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BP
_chemical_formula_sum   'La2 B1 P1'
_cell_volume   87.91
_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  0.79  0.66  0.15  1.0
  La  La1  1  0.79  0.66  0.85  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.31  0.0  1.0

La La B P
La La B P 0 1 o + o 2 3 o o o 