data_BaSr2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   148.55
_cell_angle_beta   131.39
_cell_angle_gamma   59.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Zn
_chemical_formula_sum   'Ba1 Sr2 Zn1'
_cell_volume   177.21
_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  0.7  1.0
  Sr  Sr1  1  0.0  0.17  0.15  1.0
  Sr  Sr2  1  0.09  0.0  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_BaSr2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   6.34
_cell_length_c   7.7
_cell_angle_alpha   114.3
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Zn
_chemical_formula_sum   'Ba1 Sr2 Zn1'
_cell_volume   177.21
_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  0.7  0.7  1.0
  Sr  Sr1  1  0.0  0.55  0.46  1.0
  Sr  Sr2  1  0.83  0.98  0.98  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Ba Sr Sr Zn