data_LaBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBP2
_chemical_formula_sum   'La1 B1 P2'
_cell_volume   71.72
_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  0.0  0.0  0.85  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.36  0.0  0.65  1.0
  P  P3  1  0.36  0.0  0.06  1.0

data_LaBP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBP2
_chemical_formula_sum   'La1 B1 P2'
_cell_volume   71.72
_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  0.0  0.85  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.36  0.0  0.06  1.0
  P  P3  1  0.36  0.0  0.65  1.0

La B P P