data_[Na4Sm4Se4O4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7445]
_cell_length_b [5.7399]
_cell_length_c [10.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaSmSeO]
_chemical_formula_sum '[Na4 Sm4 Se4 O4]'
_cell_volume [348.4462]
_cell_formula_units_Z [4]
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  4  0.2071  0.6223  0.9048  1
  Sm  Sm1  4  0.2009  0.9022  0.3943  1
  Se  Se2  4  0.1720  0.1206  0.8170  1
  O  O3  2  0.0000  0.1555  0.5000  1
  O  O4  2  0.0000  0.6542  0.5000  1
]