data_KLa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.86
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   97.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2As
_chemical_formula_sum   'K1 La2 As1'
_cell_volume   153.0
_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  0.0  0.0  0.0  1.0
  La  La2  1  0.37  0.93  0.63  1.0
  La  La3  1  0.99  0.93  0.86  1.0
  As  As0  1  0.29  0.0  0.24  1.0

data_KLa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.86
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   97.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2As
_chemical_formula_sum   'K1 La2 As1'
_cell_volume   153.0
_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  0.0  0.0  1.0
  La  La1  1  0.37  0.93  0.63  1.0
  La  La2  1  0.99  0.93  0.86  1.0
  As  As3  1  0.29  0.0  0.24  1.0

K La La As
K La La As 0 2 - - - 0 3 o o o 1 2 - o o 1 2 o o o 1 1 + o o 1 1 o + o 
KLa2As crystallizes in the triclinic P1 space group. K(1) is bonded in a bent 150 degrees geometry to one La(2) and one As(1) atom. The K(1)-La(2) bond length is 1.47 Å. The K(1)-As(1) bond length is 2.67 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent La(2), four equivalent La(1), and one As(1) atom. There is one shorter (3.04 Å) and one longer (3.21 Å) La(1)-La(2) bond length. There are two shorter (3.78 Å) and two longer (3.86 Å) La(1)-La(1) bond lengths. The La(1)-As(1) bond length is 4.02 Å. In the second La site, La(2) is bonded in a single-bond geometry to one K(1) and two equivalent La(1) atoms. As(1) is bonded in a single-bond geometry to one K(1) and one La(1) atom.