data_[K4Cu12As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4576]
_cell_length_b [4.0406]
_cell_length_c [7.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCu3As2]
_chemical_formula_sum '[K4 Cu12 As8]'
_cell_volume [455.0111]
_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  0.1554  0.0000  0.0593  1.0
  Cu  Cu1  4  0.0407  0.0000  0.3791  1.0
  Cu  Cu2  4  0.0824  0.5000  0.6400  1.0
  Cu  Cu3  4  0.1863  0.5000  0.4516  1.0
  As  As4  4  0.0268  0.5000  0.1954  1.0
  As  As5  4  0.1826  0.0000  0.6572  1.0
]