data_[Sm4H4C4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.9398]
_cell_length_b [7.2188]
_cell_length_c [8.6301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SmHCO4]
_chemical_formula_sum '[Sm4 H4 C4 O16]'
_cell_volume [307.7466]
_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
[
  Sm  Sm0  4  0.0117  0.6128  0.8347  1
  H  H1  4  0.1282  0.7540  0.5319  1
  C  C2  4  0.0043  0.5514  0.1725  1
  O  O3  4  0.0015  0.2939  0.8886  1
  O  O4  4  0.0151  0.9514  0.2044  1
  O  O5  4  0.2092  0.1063  0.4015  1
  O  O6  4  0.2425  0.5893  0.1167  1
]