data_[K6Sm2Sb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3955]
_cell_length_b [12.8085]
_cell_length_c [8.0793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sm(SbSe3)2]
_chemical_formula_sum '[K6 Sm2 Sb4 Se12]'
_cell_volume [728.8460]
_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
[
  K  K0  4  0.0000  0.1677  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3334  0.0000  1.0
  Se  Se4  8  0.2371  0.1683  0.2066  1.0
  Se  Se5  4  0.2324  0.5000  0.2071  1.0
]