data_[Na2Sm1Bi1Se4]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3466]
_cell_length_b [4.2346]
_cell_length_c [7.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2SmBiSe4]
_chemical_formula_sum '[Na2 Sm1 Bi1 Se4]'
_cell_volume [219.5694]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Na  Na1  1  0.5000  0.0000  0.5000  1
  Sm  Sm2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2478  0.5000  0.2372  1
  Se  Se5  2  0.2564  0.0000  0.7661  1
]