data_KSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.85
_cell_angle_alpha   112.05
_cell_angle_beta   112.05
_cell_angle_gamma   34.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2P
_chemical_formula_sum   'K1 Sn2 P1'
_cell_volume   114.64
_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  0.7  0.0  0.69  1.0
  Sn  Sn2  1  0.71  0.0  0.52  1.0
  Sn  Sn3  1  0.69  0.0  0.86  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_KSn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.85
_cell_length_c   6.13
_cell_angle_alpha   112.05
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2P
_chemical_formula_sum   'K1 Sn2 P1'
_cell_volume   114.64
_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  0.69  0.7  1.0
  Sn  Sn1  1  0.0  0.52  0.71  1.0
  Sn  Sn2  1  0.0  0.86  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K Sn Sn P
K Sn Sn P 0 2 o o o 0 1 o o o 0 3 + o + 2 3 + o + 