data_BaAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.15
_cell_angle_alpha   110.75
_cell_angle_beta   110.75
_cell_angle_gamma   58.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlP2
_chemical_formula_sum   'Ba1 Al1 P2'
_cell_volume   91.26
_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
  Ba  Ba1  1  0.54  0.0  0.81  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.02  0.0  0.94  1.0
  P  P3  1  0.07  0.0  0.68  1.0

data_BaAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.36
_cell_length_c   6.15
_cell_angle_alpha   69.28
_cell_angle_beta   69.64
_cell_angle_gamma   60.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlP2
_chemical_formula_sum   'Ba1 Al1 P2'
_cell_volume   91.26
_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
  Ba  Ba0  1  0.0  0.73  0.81  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.08  0.94  1.0
  P  P3  1  0.0  0.39  0.68  1.0

Ba Al P P
Ba Al P P 0 3 o o o 0 1 + o + 0 2 + o o 1 2 o o - 1 3 o o - 2 3 o o o 