data_KSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2As
_chemical_formula_sum   'K1 Si2 As1'
_cell_volume   84.1
_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
  Si  Si2  1  0.49  0.61  0.35  1.0
  Si  Si3  1  0.49  0.39  0.35  1.0
  As  As0  1  0.98  0.0  0.0  1.0

data_KSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.96
_cell_length_c   6.01
_cell_angle_alpha   119.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2As
_chemical_formula_sum   'K1 Si2 As1'
_cell_volume   84.1
_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
  Si  Si1  1  0.35  0.39  0.88  1.0
  Si  Si2  1  0.35  0.61  0.1  1.0
  As  As3  1  0.0  0.0  0.98  1.0

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