data_[Sc4P4H16O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [5.4785]
_cell_length_b [10.3376]
_cell_length_c [10.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScP(H2O3)2]
_chemical_formula_sum '[Sc4 P4 H16 O24]'
_cell_volume [509.9576]
_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
[
  Sc  Sc0  4  0.1109  0.1695  0.1997  1
  P  P1  4  0.2748  0.6500  0.6817  1
  H  H2  4  0.1061  0.0506  0.7692  1
  H  H3  4  0.3416  0.1631  0.5194  1
  H  H4  4  0.3748  0.5378  0.3030  1
  H  H5  4  0.4233  0.6820  0.0239  1
  O  O6  4  0.0846  0.6818  0.7490  1
  O  O7  4  0.1494  0.7099  0.5246  1
  O  O8  4  0.1789  0.5402  0.2858  1
  O  O9  4  0.2970  0.5005  0.6751  1
  O  O10  4  0.3855  0.1463  0.4398  1
  O  O11  4  0.4274  0.2082  0.7156  1
]