data_K3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3As5
_chemical_formula_sum   'K3 As5'
_cell_volume   192.38
_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  K5  1  0.0  0.0  0.0  1.0
  K  K6  1  0.22  0.0  0.17  1.0
  K  K7  1  0.94  0.0  0.17  1.0
  As  As0  1  0.58  0.0  0.0  1.0
  As  As1  1  0.29  0.42  0.0  1.0
  As  As2  1  0.29  0.58  0.0  1.0
  As  As3  1  0.58  0.16  0.17  1.0
  As  As4  1  0.58  0.84  0.17  1.0

data_K3As5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   93.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3As5
_chemical_formula_sum   'K3 As5'
_cell_volume   192.38
_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
  K  K1  1  0.17  0.22  0.0  1.0
  K  K2  1  0.17  0.94  0.0  1.0
  As  As3  1  0.0  0.58  0.0  1.0
  As  As4  1  0.0  0.29  0.58  1.0
  As  As5  1  0.0  0.29  0.42  1.0
  As  As6  1  0.17  0.58  0.16  1.0
  As  As7  1  0.17  0.58  0.84  1.0

K K K As As As As As
K K K As As As As As 0 2 - o o 0 1 o o o 1 2 - o o 3 6 o o o 3 7 o - o 4 5 o o o 