data_[K2Sr2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  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 [4.4183]
_cell_length_b [11.9467]
_cell_length_c [6.2409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSrCuSe3]
_chemical_formula_sum '[K2 Sr2 Cu2 Se6]'
_cell_volume [320.5817]
_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  0.3386  0.7500  0.9224  1.0
  Sr  Sr1  2  0.5000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0857  0.7500  0.3414  1.0
  Se  Se3  4  0.0898  0.0642  0.8618  1.0
  Se  Se4  2  0.3513  0.2500  0.4957  1.0
]