data_BaSrZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrZr
_chemical_formula_sum   'Ba1 Sr1 Zr1'
_cell_volume   116.33
_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  0.89  0.09  0.09  1.0
  Sr  Sr1  1  0.0  0.0  0.46  1.0
  Zr  Zr2  1  0.0  0.18  0.25  1.0

data_BaSrZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrZr
_chemical_formula_sum   'Ba1 Sr1 Zr1'
_cell_volume   116.33
_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  0.89  0.09  0.09  1.0
  Sr  Sr1  1  0.0  0.0  0.46  1.0
  Zr  Zr2  1  0.0  0.18  0.25  1.0

Ba Sr Zr
Ba Sr Zr 0 2 + o o 1 2 o o o 