data_[K2Li2As4]
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 [Cm]
_cell_length_a [8.4897]
_cell_length_b [4.5462]
_cell_length_c [5.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KLiAs2]
_chemical_formula_sum '[K2 Li2 As4]'
_cell_volume [221.3197]
_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  0.4794  0.0000  0.4973  1
  Li  Li1  2  0.2112  0.5000  0.0481  1
  As  As2  2  0.0516  0.0000  0.0773  1
  As  As3  2  0.2578  0.0000  0.8772  1
]