data_KSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.49
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnAs2
_chemical_formula_sum   'K1 Sn1 As2'
_cell_volume   97.42
_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  K2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.3  1.0
  As  As0  1  0.65  0.24  0.58  1.0
  As  As1  1  0.65  0.24  0.01  1.0

data_KSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.49
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnAs2
_chemical_formula_sum   'K1 Sn1 As2'
_cell_volume   97.42
_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
  Sn  Sn1  1  0.0  0.0  0.3  1.0
  As  As2  1  0.65  0.24  0.01  1.0
  As  As3  1  0.65  0.24  0.58  1.0

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