data_[K2Li2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8045]
_cell_length_b [4.8182]
_cell_length_c [6.9990]
_cell_angle_alpha [92.0601]
_cell_angle_beta [98.3025]
_cell_angle_gamma [103.5848]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLiAs]
_chemical_formula_sum '[K2 Li2 As2]'
_cell_volume [155.4266]
_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  2  0.2837  0.2485  0.1490  1.0
  Li  Li1  2  0.2820  0.6977  0.4891  1.0
  As  As2  2  0.1907  0.1652  0.6363  1.0
]