data_[Na2Sm2Mg2Se6]
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
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3040]
_cell_length_b [4.2611]
_cell_length_c [10.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSmMgSe3]
_chemical_formula_sum '[Na2 Sm2 Mg2 Se6]'
_cell_volume [366.2337]
_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  0.1827  0.2500  0.6502  1
  Sm  Sm1  2  0.3271  0.7500  0.3563  1
  Mg  Mg2  2  0.0667  0.2500  0.1097  1
  Se  Se3  2  0.0763  0.2500  0.3504  1
  Se  Se4  2  0.2209  0.7500  0.0655  1
  Se  Se5  2  0.4323  0.7500  0.6388  1
]