data_KNaSr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   13.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaSr2
_chemical_formula_sum   'K1 Na1 Sr2'
_cell_volume   217.66
_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  0.78  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.34  0.0  0.08  1.0
  Sr  Sr3  1  0.34  0.0  0.48  1.0

data_KNaSr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   13.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaSr2
_chemical_formula_sum   'K1 Na1 Sr2'
_cell_volume   217.66
_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  0.78  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.34  0.0  0.08  1.0
  Sr  Sr3  1  0.34  0.0  0.48  1.0

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