data_KAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   18.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs
_chemical_formula_sum   'K4 As4'
_cell_volume   339.62
_cell_formula_units_Z   4
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  K4  1  0.32  0.34  0.3  1.0
  K  K5  1  0.0  0.67  0.44  1.0
  K  K6  1  0.0  0.67  0.99  1.0
  K  K7  1  0.32  0.34  0.85  1.0
  As  As0  1  0.0  0.0  0.57  1.0
  As  As1  1  0.0  0.0  0.72  1.0
  As  As2  1  0.32  0.34  0.72  1.0
  As  As3  1  0.0  0.67  0.57  1.0

data_KAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   18.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs
_chemical_formula_sum   'K4 As4'
_cell_volume   339.62
_cell_formula_units_Z   4
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  0.67  0.44  1.0
  K  K1  1  0.0  0.67  0.99  1.0
  K  K2  1  0.32  0.34  0.3  1.0
  K  K3  1  0.32  0.34  0.85  1.0
  As  As4  1  0.0  0.0  0.57  1.0
  As  As5  1  0.0  0.0  0.72  1.0
  As  As6  1  0.0  0.67  0.57  1.0
  As  As7  1  0.32  0.34  0.72  1.0

K K K K As As As As