data_[Sm2Re8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0609]
_cell_length_b [6.4804]
_cell_length_c [8.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(ReSe2)4]
_chemical_formula_sum '[Sm2 Re8 Se16]'
_cell_volume [590.9143]
_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  0.0000  1
  Re  Re1  4  0.2500  0.2500  0.0000  1
  Re  Re2  2  0.0000  0.0000  0.5000  1
  Re  Re3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.0110  0.2453  0.7367  1
  Se  Se5  4  0.2317  0.0000  0.7526  1
  Se  Se6  4  0.2387  0.5000  0.7606  1
]