data_[Sr6Sm8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0813]
_cell_length_b [12.1016]
_cell_length_c [8.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(SmSe2)4]
_chemical_formula_sum '[Sr6 Sm8 Se16]'
_cell_volume [887.9707]
_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
[
  Sr  Sr0  4  0.2500  0.2500  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.2500  0.2500  0.0000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm4  2  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.0000  0.2451  0.0000  1.0
  Se  Se6  4  0.0000  0.2455  0.5000  1.0
  Se  Se7  4  0.2347  0.0000  0.4835  1.0
  Se  Se8  4  0.2422  0.0000  0.9899  1.0
]