data_KLi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.42
_cell_angle_alpha   109.19
_cell_angle_beta   109.19
_cell_angle_gamma   59.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2As
_chemical_formula_sum   'K1 Li2 As1'
_cell_volume   104.27
_cell_formula_units_Z   1
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  K1  1  0.37  0.0  0.66  1.0
  Li  Li2  1  0.29  0.0  0.73  1.0
  Li  Li3  1  0.08  0.0  0.25  1.0
  As  As0  1  0.69  0.0  0.23  1.0

data_KLi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.5
_cell_length_c   6.42
_cell_angle_alpha   109.19
_cell_angle_beta   90.0
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2As
_chemical_formula_sum   'K1 Li2 As1'
_cell_volume   104.27
_cell_formula_units_Z   1
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  0.0  0.63  0.34  1.0
  Li  Li1  1  0.0  0.71  0.27  1.0
  Li  Li2  1  0.0  0.92  0.75  1.0
  As  As3  1  0.0  0.31  0.77  1.0

K Li Li As