data_[Sm2C2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6485]
_cell_length_b [6.8368]
_cell_length_c [6.4343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmCO4]
_chemical_formula_sum '[Sm2 C2 O8]'
_cell_volume [201.0337]
_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  0.0569  0.2500  0.6742  1
  C  C1  2  0.0779  0.2500  0.2164  1
  O  O2  4  0.0379  0.0896  0.3192  1
  O  O3  2  0.1538  0.2500  0.0382  1
  O  O4  2  0.4438  0.7500  0.3468  1
]