data_KSr2Li
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   7.94
_cell_angle_alpha   148.02
_cell_angle_beta   128.59
_cell_angle_gamma   61.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Li
_chemical_formula_sum   'K1 Sr2 Li1'
_cell_volume   205.49
_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  0.81  1.0
  Sr  Sr2  1  0.0  0.45  0.85  1.0
  Sr  Sr3  1  0.19  0.0  0.97  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0

data_KSr2Li
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   6.89
_cell_length_c   7.94
_cell_angle_alpha   115.71
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Li
_chemical_formula_sum   'K1 Sr2 Li1'
_cell_volume   205.49
_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  0.81  0.81  1.0
  Sr  Sr1  1  0.0  0.97  0.78  1.0
  Sr  Sr2  1  0.55  0.4  0.4  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0

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