data_[K2Sm2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8102]
_cell_length_b [4.1251]
_cell_length_c [9.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSmCuSe3]
_chemical_formula_sum '[K2 Sm2 Cu2 Se6]'
_cell_volume [344.7528]
_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  2  0.2667  0.7500  0.2309  1
  Sm  Sm1  2  0.1878  0.2500  0.6411  1
  Cu  Cu2  2  0.4176  0.7500  0.8996  1
  Se  Se3  2  0.0400  0.2500  0.3390  1
  Se  Se4  2  0.2994  0.2500  0.9586  1
  Se  Se5  2  0.4227  0.7500  0.6566  1
]