data_[Na2Sm2Co2Se6]
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
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3981]
_cell_length_b [4.0215]
_cell_length_c [9.3479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSmCoSe3]
_chemical_formula_sum '[Na2 Sm2 Co2 Se6]'
_cell_volume [308.4390]
_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  0.3002  0.7500  0.7650  1
  Sm  Sm1  2  0.1778  0.2500  0.1463  1
  Co  Co2  2  0.4248  0.7500  0.4140  1
  Se  Se3  2  0.0652  0.2500  0.8298  1
  Se  Se4  2  0.3001  0.2500  0.4759  1
  Se  Se5  2  0.4265  0.7500  0.1568  1
]