data_Sr2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   151.1
_cell_angle_beta   151.1
_cell_angle_gamma   41.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BrCl
_chemical_formula_sum   'Sr2 Br1 Cl1'
_cell_volume   157.16
_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
  Sr  Sr2  1  0.19  0.0  0.1  1.0
  Sr  Sr3  1  0.0  0.0  0.21  1.0
  Br  Br0  1  0.0  0.19  0.1  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Sr2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   8.77
_cell_angle_alpha   104.45
_cell_angle_beta   104.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BrCl
_chemical_formula_sum   'Sr2 Br1 Cl1'
_cell_volume   157.16
_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
  Sr  Sr0  1  0.79  0.0  0.79  1.0
  Sr  Sr1  1  0.9  0.0  0.09  1.0
  Br  Br2  1  0.09  0.19  0.09  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Sr Br Cl
Sr Sr Br Cl 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 