data_KAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.8
_cell_length_b   10.8
_cell_length_c   10.8
_cell_angle_alpha   16.43
_cell_angle_beta   16.43
_cell_angle_gamma   16.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs3
_chemical_formula_sum   'K1 As3'
_cell_volume   87.86
_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  K3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.85  1.0
  As  As1  1  0.0  0.0  0.98  1.0
  As  As2  1  0.0  0.0  0.11  1.0

data_KAs3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   99.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAs3
_chemical_formula_sum   'K2 As6'
_cell_volume   175.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.02  1.0
  As  As2  2  0.0  0.0  0.15  1.0
  As  As3  2  0.0  0.0  0.89  1.0

K As As As
K As As As 0 2 o o - 0 1 o o - 0 3 o o o 1 2 o o o 2 3 o o + 