data_MnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.19
_cell_length_c   7.19
_cell_angle_alpha   109.53
_cell_angle_beta   106.24
_cell_angle_gamma   97.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPHO5
_chemical_formula_sum   'Mn2 P2 H2 O10'
_cell_volume   166.62
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.19  0.22  0.18  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.75  0.9  0.47  1.0
  P  P3  1  0.64  0.54  0.89  1.0
  H  H4  1  0.14  0.65  0.14  1.0
  H  H5  1  0.25  0.8  0.21  1.0
  O  O6  1  0.48  0.53  0.62  1.0
  O  O7  1  0.5  0.95  0.49  1.0
  O  O8  1  0.29  0.87  0.18  1.0
  O  O9  1  0.85  0.13  0.42  1.0
  O  O10  1  0.37  0.77  0.79  1.0
  O  O11  1  0.01  0.68  0.56  1.0
  O  O12  1  0.54  0.31  0.94  1.0
  O  O13  1  0.1  0.58  0.18  1.0
  O  O14  1  0.89  0.49  0.87  1.0
  O  O15  1  0.91  0.91  0.73  1.0

data_MnPHO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   5.19
_cell_length_c   7.19
_cell_angle_alpha   109.53
_cell_angle_beta   106.24
_cell_angle_gamma   97.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPHO5
_chemical_formula_sum   'Mn2 P2 H2 O10'
_cell_volume   166.62
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.19  0.22  0.18  1.0
  P  P2  1  0.64  0.54  0.89  1.0
  P  P3  1  0.75  0.9  0.47  1.0
  H  H4  1  0.14  0.65  0.14  1.0
  H  H5  1  0.25  0.8  0.21  1.0
  O  O6  1  0.01  0.68  0.56  1.0
  O  O7  1  0.1  0.58  0.18  1.0
  O  O8  1  0.29  0.87  0.18  1.0
  O  O9  1  0.37  0.77  0.79  1.0
  O  O10  1  0.48  0.53  0.62  1.0
  O  O11  1  0.5  0.95  0.49  1.0
  O  O12  1  0.54  0.31  0.94  1.0
  O  O13  1  0.85  0.13  0.42  1.0
  O  O14  1  0.89  0.49  0.87  1.0
  O  O15  1  0.91  0.91  0.73  1.0

Mn Mn P P H H O O O O O O O O O O