data_[K10Cu2As4]
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 [P6_3/mmc]
_cell_length_a [5.7928]
_cell_length_b [5.7928]
_cell_length_c [18.9651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [K5CuAs2]
_chemical_formula_sum '[K10 Cu2 As4]'
_cell_volume [551.1410]
_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  0.0000  0.0000  0.1453  1.0
  K  K1  4  0.3333  0.6667  0.4507  1.0
  K  K2  2  0.3333  0.6667  0.2500  1.0
  Cu  Cu3  2  0.3333  0.6667  0.7500  1.0
  As  As4  4  0.3333  0.6667  0.6267  1.0
]