data_[Sm2Ni4P4H8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  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 [C2/m]
_cell_length_a [8.7755]
_cell_length_b [5.9514]
_cell_length_c [7.3796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmNi2P2(H2O5)2]
_chemical_formula_sum '[Sm2 Ni4 P4 H8 O20]'
_cell_volume [353.1472]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1
  Ni  Ni1  4  0.2500  0.2500  0.5000  1
  P  P2  4  0.0971  0.5000  0.8017  1
  H  H3  4  0.0611  0.0000  0.6247  1
  H  H4  4  0.2425  0.0000  0.7790  1
  O  O5  8  0.0131  0.2869  0.2343  1
  O  O6  4  0.1727  0.0000  0.6262  1
  O  O7  4  0.2031  0.5000  0.6755  1
  O  O8  4  0.2303  0.5000  0.0160  1
]