data_K2SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.99
_cell_angle_alpha   94.58
_cell_angle_beta   94.58
_cell_angle_gamma   30.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiAs
_chemical_formula_sum   'K2 Si1 As1'
_cell_volume   111.37
_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  0.04  0.0  0.8  1.0
  K  K2  1  0.21  0.0  0.17  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.13  0.0  0.49  1.0

data_K2SiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.61
_cell_length_c   6.99
_cell_angle_alpha   94.58
_cell_angle_beta   90.0
_cell_angle_gamma   105.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiAs
_chemical_formula_sum   'K2 Si1 As1'
_cell_volume   111.37
_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  0.79  0.83  1.0
  K  K1  1  0.0  0.96  0.2  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.87  0.51  1.0

K K Si As