data_Ba2SrLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   6.63
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrLa
_chemical_formula_sum   'Ba2 Sr1 La1'
_cell_volume   206.83
_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  0.63  0.31  0.71  1.0
  Ba  Ba1  1  0.69  0.0  0.02  1.0
  Sr  Sr3  1  0.96  0.0  0.74  1.0
  La  La2  1  0.32  0.31  0.89  1.0

data_Ba2SrLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   6.63
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrLa
_chemical_formula_sum   'Ba2 Sr1 La1'
_cell_volume   206.83
_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  0.63  0.31  0.71  1.0
  Ba  Ba1  1  0.69  0.0  0.02  1.0
  Sr  Sr2  1  0.96  0.0  0.74  1.0
  La  La3  1  0.32  0.31  0.89  1.0

Ba Ba Sr La
Ba Ba Sr La 0 3 o o o 0 1 o o + 0 2 o o o 1 3 o o - 1 2 o o - 2 3 + o o 