data_BaSrZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   4.07
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrZn2
_chemical_formula_sum   'Ba1 Sr1 Zn2'
_cell_volume   127.38
_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  0.91  0.0  0.95  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.94  0.04  0.84  1.0
  Zn  Zn3  1  0.83  0.04  0.07  1.0

data_BaSrZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.07
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrZn2
_chemical_formula_sum   'Ba1 Sr1 Zn2'
_cell_volume   127.38
_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  0.91  0.0  0.95  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.83  0.04  0.07  1.0
  Zn  Zn3  1  0.94  0.04  0.84  1.0

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