data_[Mg8P4H28O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7874]
_cell_length_b [13.0223]
_cell_length_c [10.5514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2PH7O8]
_chemical_formula_sum '[Mg8 P4 H28 O32]'
_cell_volume [635.4637]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0461  0.0127  0.6545  1
  Mg  Mg1  4  0.0664  0.7113  0.0029  1
  P  P2  4  0.4070  0.6801  0.7791  1
  H  H3  4  0.0124  0.6806  0.2430  1
  H  H4  4  0.0424  0.1139  0.9115  1
  H  H5  4  0.3136  0.1827  0.3383  1
  H  H6  4  0.3379  0.1711  0.9635  1
  H  H7  4  0.3742  0.6011  0.3508  1
  H  H8  4  0.4329  0.5636  0.0325  1
  H  H9  4  0.4505  0.0045  0.1830  1
  O  O10  4  0.1231  0.1473  0.3354  1
  O  O11  4  0.1576  0.1543  0.9874  1
  O  O12  4  0.2143  0.5822  0.7406  1
  O  O13  4  0.2247  0.5637  0.0190  1
  O  O14  4  0.2658  0.7435  0.3589  1
  O  O15  4  0.2873  0.1485  0.6392  1
  O  O16  4  0.3563  0.5288  0.3220  1
  O  O17  4  0.4225  0.7352  0.6496  1
]