data_[Na2Sm2C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pmc2_1]
_cell_length_a [5.1447]
_cell_length_b [6.3689]
_cell_length_c [7.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NaSm(CO3)2]
_chemical_formula_sum '[Na2 Sm2 C4 O12]'
_cell_volume [232.0372]
_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
[
  Na  Na0  2  0.0000  0.4823  0.0278  1.0
  Sm  Sm1  2  0.5000  0.1306  0.3284  1.0
  C  C2  2  0.0000  0.0358  0.9989  1.0
  C  C3  2  0.5000  0.4198  0.7429  1.0
  O  O4  4  0.2224  0.1246  0.0351  1.0
  O  O5  4  0.2871  0.4825  0.2803  1.0
  O  O6  2  0.0000  0.1427  0.4131  1.0
  O  O7  2  0.5000  0.2332  0.6641  1.0
]