data_BaNa2Sr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.37
_cell_length_b   13.37
_cell_length_c   13.37
_cell_angle_alpha   17.98
_cell_angle_beta   17.98
_cell_angle_gamma   17.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Sr
_chemical_formula_sum   'Ba1 Na2 Sr1'
_cell_volume   198.7
_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
  Ba  Ba0  1  0.0  0.0  0.72  1.0
  Na  Na1  1  0.0  0.0  0.87  1.0
  Na  Na2  1  0.0  0.0  0.57  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0

data_BaNa2Sr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   4.18
_cell_length_c   13.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNa2Sr
_chemical_formula_sum   'Ba2 Na4 Sr2'
_cell_volume   397.4
_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
  Ba  Ba0  2  0.0  0.0  0.28  1.0
  Na  Na1  2  0.0  0.0  0.13  1.0
  Na  Na2  2  0.0  0.0  0.43  1.0
  Sr  Sr3  2  0.0  0.0  0.0  1.0

Ba Na Na Sr
Ba Na Na Sr 0 2 o o o 0 1 o o o 1 3 o o + 