data_Ba2SrZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.95
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrZr
_chemical_formula_sum   'Ba2 Sr1 Zr1'
_cell_volume   172.42
_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  0.0  0.88  1.0
  Ba  Ba1  1  0.92  0.0  0.92  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.78  0.0  0.4  1.0

data_Ba2SrZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   6.78
_cell_length_c   6.95
_cell_angle_alpha   101.44
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrZr
_chemical_formula_sum   'Ba2 Sr1 Zr1'
_cell_volume   172.42
_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  0.08  0.08  1.0
  Ba  Ba1  1  0.0  0.37  0.12  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.22  0.6  1.0

Ba Ba Sr Zr