data_[Mg3B2P2H18O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  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 [P-1]
_cell_length_a [6.1755]
_cell_length_b [6.2032]
_cell_length_c [9.5633]
_cell_angle_alpha [83.1925]
_cell_angle_beta [83.6882]
_cell_angle_gamma [73.0956]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3B2P2(H9O10)2]
_chemical_formula_sum '[Mg3 B2 P2 H18 O20]'
_cell_volume [346.9514]
_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
[
  Mg  Mg0  2  0.3185  0.3312  0.3318  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.2468  0.8684  0.2843  1
  P  P3  2  0.1379  0.7509  0.7211  1
  H  H4  2  0.1380  0.3440  0.8462  1
  H  H5  2  0.1384  0.1445  0.5697  1
  H  H6  2  0.1552  0.3811  0.6018  1
  H  H7  2  0.2946  0.6749  0.1200  1
  H  H8  2  0.3201  0.3308  0.0417  1
  H  H9  2  0.3222  0.6711  0.4673  1
  H  H10  2  0.3550  0.1314  0.8533  1
  H  H11  2  0.4437  0.6676  0.8996  1
  H  H12  2  0.4672  0.0994  0.6348  1
  O  O13  2  0.0203  0.5642  0.7131  1
  O  O14  2  0.0211  0.0179  0.3407  1
  O  O15  2  0.1756  0.7636  0.8751  1
  O  O16  2  0.2197  0.2151  0.9115  1
  O  O17  2  0.2337  0.8375  0.1374  1
  O  O18  2  0.2345  0.2502  0.5441  1
  O  O19  2  0.2857  0.6556  0.3700  1
  O  O20  2  0.3573  0.7142  0.6259  1
  O  O21  2  0.3857  0.3916  0.1141  1
  O  O22  2  0.4219  0.9855  0.2957  1
]