data_[K4La4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2588]
_cell_length_b [14.2919]
_cell_length_c [11.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KLaCuSe3]
_chemical_formula_sum '[K4 La4 Cu4 Se12]'
_cell_volume [704.3596]
_cell_formula_units_Z [4]
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  0.2549  0.2500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4627  0.7500  1.0
  Se  Se3  8  0.0000  0.3661  0.5756  1.0
  Se  Se4  4  0.0000  0.0572  0.7500  1.0
]