data_[K6Sm2Tm4Se12]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2898]
_cell_length_b [12.6274]
_cell_length_c [8.0579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sm(TmSe3)2]
_chemical_formula_sum '[K6 Sm2 Tm4 Se12]'
_cell_volume [707.1875]
_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  0.1653  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2390  0.1707  0.2047  1
  Se  Se5  4  0.2268  0.5000  0.2046  1
]