data_KSr2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   134.59
_cell_angle_beta   134.59
_cell_angle_gamma   66.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Ti
_chemical_formula_sum   'K1 Sr2 Ti1'
_cell_volume   177.04
_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
  Sr  Sr1  1  0.73  0.0  0.96  1.0
  Sr  Sr2  1  0.0  0.0  0.93  1.0
  Ti  Ti3  1  0.0  0.73  0.96  1.0

data_KSr2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.08
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Ti
_chemical_formula_sum   'K1 Sr2 Ti1'
_cell_volume   177.04
_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
  Sr  Sr1  1  0.04  0.0  0.77  1.0
  Sr  Sr2  1  0.07  0.0  0.07  1.0
  Ti  Ti3  1  0.77  0.73  0.77  1.0

K Sr Sr Ti