data_K4SnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   8.36
_cell_length_c   10.1
_cell_angle_alpha   79.58
_cell_angle_beta   69.75
_cell_angle_gamma   75.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4SnP4
_chemical_formula_sum   'K8 Sn2 P8'
_cell_volume   606.08
_cell_formula_units_Z   2
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  0.57  0.26  0.13  1.0
  K  K1  1  0.95  0.82  0.3  1.0
  K  K2  1  0.3  0.3  0.53  1.0
  K  K3  1  0.22  0.78  0.9  1.0
  K  K4  1  0.42  0.29  0.84  1.0
  K  K5  1  0.1  0.79  0.59  1.0
  K  K6  1  0.71  0.48  0.31  1.0
  K  K7  1  0.81  0.6  0.11  1.0
  Sn  Sn16  1  0.75  0.06  0.99  1.0
  Sn  Sn17  1  0.78  0.02  0.44  1.0
  P  P8  1  0.02  0.93  0.11  1.0
  P  P9  1  0.5  0.15  0.32  1.0
  P  P10  1  0.82  0.44  0.82  1.0
  P  P11  1  0.71  0.64  0.61  1.0
  P  P12  1  0.15  0.57  0.53  1.0
  P  P13  1  0.37  0.51  0.9  1.0
  P  P14  1  0.52  0.88  0.21  1.0
  P  P15  1  0.01  0.2  0.21  1.0

data_K4SnP4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.94
_cell_length_b   8.36
_cell_length_c   10.1
_cell_angle_alpha   79.58
_cell_angle_beta   69.75
_cell_angle_gamma   75.57
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K4SnP4
_chemical_formula_sum   'K8 Sn2 P8'
_cell_volume   606.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.26  0.32  1.0
  K  K1  2  0.16  0.25  0.63  1.0
  K  K2  2  0.31  0.22  0.91  1.0
  K  K3  2  0.45  0.44  0.1  1.0
  Sn  Sn4  2  0.49  0.02  0.77  1.0
  P  P5  2  0.11  0.47  0.69  1.0
  P  P6  2  0.24  0.11  0.11  1.0
  P  P7  2  0.25  0.84  1.0  1.0
  P  P8  2  0.44  0.6  0.4  1.0

K K K K K K K K Sn Sn P P P P P P P P