data_K2SrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42
_cell_length_b   8.42
_cell_length_c   8.42
_cell_angle_alpha   153.38
_cell_angle_beta   135.24
_cell_angle_gamma   52.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SrTi
_chemical_formula_sum   'K2 Sr1 Ti1'
_cell_volume   187.45
_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  0.94  0.0  0.14  1.0
  K  K1  1  0.0  0.21  0.41  1.0
  Sr  Sr2  1  0.0  0.0  0.54  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_K2SrTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   6.41
_cell_length_c   8.42
_cell_angle_alpha   112.38
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SrTi
_chemical_formula_sum   'K2 Sr1 Ti1'
_cell_volume   187.45
_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  0.59  0.8  0.8  1.0
  K  K1  1  0.8  0.86  0.8  1.0
  Sr  Sr2  1  0.46  0.46  0.46  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

K K Sr Ti
K K Sr Ti 0 1 + o o 0 2 + o o 0 3 + o o 1 2 o o o 