data_K2Sr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   10.89
_cell_angle_alpha   103.97
_cell_angle_beta   103.97
_cell_angle_gamma   29.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sr
_chemical_formula_sum   'K4 Sr2'
_cell_volume   398.48
_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  0.39  0.0  0.07  1.0
  K  K1  1  0.96  0.0  0.47  1.0
  K  K2  1  0.5  0.0  0.99  1.0
  K  K3  1  0.85  0.0  0.55  1.0
  Sr  Sr4  1  0.58  0.0  0.91  1.0
  Sr  Sr5  1  0.77  0.0  0.63  1.0

data_K2Sr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   8.81
_cell_length_c   10.89
_cell_angle_alpha   103.97
_cell_angle_beta   90.0
_cell_angle_gamma   104.56
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Sr
_chemical_formula_sum   'K4 Sr2'
_cell_volume   398.48
_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  0.0  0.18  0.78  1.0
  K  K1  2  0.0  0.29  0.7  1.0
  Sr  Sr2  2  0.0  0.09  0.86  1.0

K K K K Sr Sr
K K K K Sr Sr 0 2 o o - 1 3 o o o 2 4 o o o 3 5 o o o 