data_KNaSr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.07
_cell_angle_alpha   108.98
_cell_angle_beta   108.98
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaSr2
_chemical_formula_sum   'K1 Na1 Sr2'
_cell_volume   215.66
_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  0.87  0.0  0.21  1.0
  Na  Na1  1  0.36  0.0  0.64  1.0
  Sr  Sr2  1  0.22  0.0  0.08  1.0
  Sr  Sr3  1  0.85  0.0  0.04  1.0

data_KNaSr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   7.07
_cell_length_c   7.63
_cell_angle_alpha   108.98
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaSr2
_chemical_formula_sum   'K1 Na1 Sr2'
_cell_volume   215.66
_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  0.21  0.87  1.0
  Na  Na1  1  0.0  0.64  0.36  1.0
  Sr  Sr2  1  0.0  0.04  0.85  1.0
  Sr  Sr3  1  0.0  0.08  0.22  1.0

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