data_Ba2GaP4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   7.29
_cell_length_c   8.39
_cell_angle_alpha   107.8
_cell_angle_beta   97.99
_cell_angle_gamma   104.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaP4HO14
_chemical_formula_sum   'Ba2 Ga1 P4 H1 O14'
_cell_volume   257.56
_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  0.51  0.71  0.89  1.0
  Ba  Ba1  1  0.23  0.43  0.88  1.0
  Ga  Ga2  1  0.42  0.53  0.89  1.0
  P  P18  1  1.0  0.86  0.0  1.0
  P  P19  1  0.75  0.28  0.77  1.0
  P  P20  1  0.4  0.68  0.83  1.0
  P  P21  1  0.35  0.46  0.94  1.0
  H  H3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.27  0.93  0.78  1.0
  O  O5  1  0.48  0.21  0.99  1.0
  O  O6  1  0.24  0.52  0.84  1.0
  O  O7  1  0.51  0.62  0.93  1.0
  O  O8  1  0.82  0.36  0.96  1.0
  O  O9  1  0.93  0.78  0.81  1.0
  O  O10  1  0.34  0.38  0.37  1.0
  O  O11  1  0.41  0.76  0.4  1.0
  O  O12  1  0.96  0.43  0.57  1.0
  O  O13  1  0.79  0.71  0.21  1.0
  O  O14  1  0.36  0.54  0.61  1.0
  O  O15  1  0.39  0.6  0.16  1.0
  O  O16  1  0.23  0.19  0.69  1.0
  O  O17  1  0.52  0.95  0.08  1.0

data_Ba2GaP4HO14
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   7.29
_cell_length_c   8.39
_cell_angle_alpha   107.8
_cell_angle_beta   97.99
_cell_angle_gamma   104.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaP4HO14
_chemical_formula_sum   'Ba2 Ga1 P4 H1 O14'
_cell_volume   257.56
_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  0.23  0.43  0.88  1.0
  Ba  Ba1  1  0.51  0.71  0.89  1.0
  Ga  Ga2  1  0.42  0.53  0.89  1.0
  P  P3  1  0.35  0.46  0.94  1.0
  P  P4  1  0.4  0.68  0.83  1.0
  P  P5  1  0.75  0.28  0.77  1.0
  P  P6  1  1.0  0.86  0.0  1.0
  H  H7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.23  0.19  0.69  1.0
  O  O9  1  0.24  0.52  0.84  1.0
  O  O10  1  0.27  0.93  0.78  1.0
  O  O11  1  0.34  0.38  0.37  1.0
  O  O12  1  0.36  0.54  0.61  1.0
  O  O13  1  0.39  0.6  0.16  1.0
  O  O14  1  0.41  0.76  0.4  1.0
  O  O15  1  0.48  0.21  0.99  1.0
  O  O16  1  0.51  0.62  0.93  1.0
  O  O17  1  0.52  0.95  0.08  1.0
  O  O18  1  0.79  0.71  0.21  1.0
  O  O19  1  0.82  0.36  0.96  1.0
  O  O20  1  0.93  0.78  0.81  1.0
  O  O21  1  0.96  0.43  0.57  1.0

Ba Ba Ga P P P P H O O O O O O O O O O O O O O