data_[K4Lu2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8687]
_cell_length_b [3.9807]
_cell_length_c [7.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Lu(CuSe2)2]
_chemical_formula_sum '[K4 Lu2 Cu4 Se8]'
_cell_volume [445.3057]
_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  0.1306  0.0000  0.5572  1.0
  Lu  Lu1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1830  0.5000  0.9871  1.0
  Se  Se3  4  0.0208  0.5000  0.7677  1.0
  Se  Se4  4  0.2009  0.0000  0.1800  1.0
]