data_BaAl2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   6.12
_cell_length_c   6.7
_cell_angle_alpha   110.71
_cell_angle_beta   106.65
_cell_angle_gamma   93.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2(PO5)2
_chemical_formula_sum   'Ba1 Al2 P2 O10'
_cell_volume   180.21
_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  0.0  0.0  1.0
  Al  Al1  1  0.03  0.37  0.35  1.0
  Al  Al2  1  0.7  0.27  0.57  1.0
  P  P3  1  0.19  0.44  0.48  1.0
  P  P4  1  0.54  0.2  0.44  1.0
  O  O5  1  0.7  0.23  0.17  1.0
  O  O6  1  0.03  0.4  0.75  1.0
  O  O7  1  0.39  0.76  0.21  1.0
  O  O8  1  0.33  0.87  0.71  1.0
  O  O9  1  0.44  0.48  0.54  1.0
  O  O10  1  0.29  0.16  0.38  1.0
  O  O11  1  0.6  0.21  0.22  1.0
  O  O12  1  0.13  0.42  0.71  1.0
  O  O13  1  0.35  0.85  0.63  1.0
  O  O14  1  0.38  0.79  0.29  1.0

data_BaAl2(PO5)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   6.12
_cell_length_c   6.7
_cell_angle_alpha   110.71
_cell_angle_beta   106.65
_cell_angle_gamma   93.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2(PO5)2
_chemical_formula_sum   'Ba1 Al2 P2 O10'
_cell_volume   180.21
_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  0.0  0.0  1.0
  Al  Al1  1  0.03  0.37  0.35  1.0
  Al  Al2  1  0.7  0.27  0.57  1.0
  P  P3  1  0.19  0.44  0.48  1.0
  P  P4  1  0.54  0.2  0.44  1.0
  O  O5  1  0.03  0.4  0.75  1.0
  O  O6  1  0.13  0.42  0.71  1.0
  O  O7  1  0.29  0.16  0.38  1.0
  O  O8  1  0.33  0.87  0.71  1.0
  O  O9  1  0.35  0.85  0.63  1.0
  O  O10  1  0.38  0.79  0.29  1.0
  O  O11  1  0.39  0.76  0.21  1.0
  O  O12  1  0.44  0.48  0.54  1.0
  O  O13  1  0.6  0.21  0.22  1.0
  O  O14  1  0.7  0.23  0.17  1.0

Ba Al Al P P O O O O O O O O O O