data_[Sm4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [7.0652]
_cell_length_b [3.7551]
_cell_length_c [9.9082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmSeO]
_chemical_formula_sum '[Sm4 Se4 O4]'
_cell_volume [247.3091]
_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
[
  Sm  Sm0  4  0.0913  0.0000  0.3402  1
  Se  Se1  4  0.2023  0.5000  0.8835  1
  O  O2  4  0.2066  0.0000  0.5952  1
]