data_[Sm2In2Se4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0618]
_cell_length_b [4.0618]
_cell_length_c [13.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SmInSe2O]
_chemical_formula_sum '[Sm2 In2 Se4 O2]'
_cell_volume [224.4961]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.4154  1
  In  In1  2  0.0000  0.5000  0.8866  1
  Se  Se2  2  0.0000  0.5000  0.0861  1
  Se  Se3  2  0.0000  0.5000  0.6992  1
  O  O4  2  0.0000  0.0000  0.5000  1
]