data_KSr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.38
_cell_length_b   11.38
_cell_length_c   11.38
_cell_angle_alpha   24.73
_cell_angle_beta   24.73
_cell_angle_gamma   24.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Sb
_chemical_formula_sum   'K1 Sr2 Sb1'
_cell_volume   227.11
_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  Sr2  1  0.0  0.0  0.2  1.0
  Sr  Sr3  1  0.0  0.0  0.89  1.0
  Sb  Sb1  1  0.0  0.0  0.55  1.0

data_KSr2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.45
_cell_length_b   4.88
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSr2Sb
_chemical_formula_sum   'K2 Sr4 Sb2'
_cell_volume   454.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Sr  Sr1  2  0.0  0.0  0.11  1.0
  Sr  Sr2  2  0.0  0.0  0.8  1.0
  Sb  Sb3  2  0.0  0.0  0.45  1.0

K Sr Sr Sb
K Sr Sr Sb 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 