data_KNa2Sr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   12.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Sr
_chemical_formula_sum   'K1 Na2 Sr1'
_cell_volume   197.7
_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  0.05  1.0
  Na  Na1  1  0.34  0.0  0.59  1.0
  Na  Na2  1  0.0  0.0  0.8  1.0
  Sr  Sr3  1  0.34  0.0  0.73  1.0

data_KNa2Sr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   12.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Sr
_chemical_formula_sum   'K1 Na2 Sr1'
_cell_volume   197.7
_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  0.05  1.0
  Na  Na1  1  0.0  0.0  0.8  1.0
  Na  Na2  1  0.34  0.0  0.59  1.0
  Sr  Sr3  1  0.34  0.0  0.73  1.0

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