data_Ba2LaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   6.14
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   103.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaZr
_chemical_formula_sum   'Ba2 La1 Zr1'
_cell_volume   158.67
_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  0.18  0.07  0.68  1.0
  Ba  Ba1  1  0.79  0.07  0.37  1.0
  La  La2  1  0.15  0.0  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

data_Ba2LaZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.14
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   103.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaZr
_chemical_formula_sum   'Ba2 La1 Zr1'
_cell_volume   158.67
_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  0.18  0.07  0.68  1.0
  Ba  Ba1  1  0.79  0.07  0.37  1.0
  La  La2  1  0.15  0.0  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

Ba Ba La Zr