data_KSr2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   7.78
_cell_angle_alpha   97.46
_cell_angle_beta   97.46
_cell_angle_gamma   37.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Nb
_chemical_formula_sum   'K1 Sr2 Nb1'
_cell_volume   167.57
_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  0.44  0.0  0.25  1.0
  Sr  Sr3  1  0.88  0.0  0.45  1.0
  Nb  Nb1  1  0.16  0.0  0.85  1.0

data_KSr2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   6.01
_cell_length_c   7.78
_cell_angle_alpha   97.46
_cell_angle_beta   90.0
_cell_angle_gamma   108.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Nb
_chemical_formula_sum   'K1 Sr2 Nb1'
_cell_volume   167.57
_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  0.0  0.12  0.55  1.0
  Sr  Sr2  1  0.0  0.56  0.75  1.0
  Nb  Nb3  1  0.0  0.84  0.15  1.0

K Sr Sr Nb