data_[Sm8Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3734]
_cell_length_b [8.3472]
_cell_length_c [7.0402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sm4CoSe3]
_chemical_formula_sum '[Sm8 Co2 Se6]'
_cell_volume [408.9525]
_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  4  0.2263  0.1160  0.0059  1
  Sm  Sm1  4  0.2344  0.3516  0.4808  1
  Co  Co2  2  0.0000  0.1205  0.2500  1
  Se  Se3  2  0.0000  0.3813  0.7500  1
  Se  Se4  2  0.5000  0.1248  0.7500  1
  Se  Se5  2  0.5000  0.3841  0.2500  1
]