# generated using pymatgen
data_KLiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31158700
_cell_length_b   12.86796600
_cell_length_c   14.59444900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiAs
_chemical_formula_sum   'K4 Li4 As4'
_cell_volume   809.71980486
_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  1  0.50000000  0.81829000  0.72840900  1
  K  K1  1  0.50000000  0.81829000  0.27159100  1
  K  K2  1  0.50000000  0.18171000  0.22840900  1
  K  K3  1  0.50000000  0.18171000  0.77159100  1
  Li  Li4  1  0.50000000  0.43197200  0.88561100  1
  Li  Li5  1  0.50000000  0.43197200  0.11438900  1
  Li  Li6  1  0.50000000  0.56802800  0.38561100  1
  Li  Li7  1  0.50000000  0.56802800  0.61438900  1
  As  As8  1  0.50000000  0.58257200  0.21519500  1
  As  As9  1  0.50000000  0.58257200  0.78480500  1
  As  As10  1  0.50000000  0.41742800  0.71519500  1
  As  As11  1  0.50000000  0.41742800  0.28480500  1
