data_Ba2SrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   148.78
_cell_angle_beta   130.78
_cell_angle_gamma   59.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrCu
_chemical_formula_sum   'Ba2 Sr1 Cu1'
_cell_volume   179.06
_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  0.39  1.0
  Ba  Ba1  1  0.08  0.0  0.24  1.0
  Sr  Sr3  1  0.0  0.21  0.44  1.0
  Cu  Cu2  1  0.0  0.0  0.75  1.0

data_Ba2SrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   6.43
_cell_length_c   7.72
_cell_angle_alpha   114.61
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrCu
_chemical_formula_sum   'Ba2 Sr1 Cu1'
_cell_volume   179.06
_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  0.24  0.16  1.0
  Ba  Ba1  1  0.0  0.39  0.39  1.0
  Sr  Sr2  1  0.79  0.22  0.22  1.0
  Cu  Cu3  1  0.0  0.75  0.75  1.0

Ba Ba Sr Cu
Ba Ba Sr Cu 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o - 