data_Sr5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Br
_chemical_formula_sum   'Sr5 Br1'
_cell_volume   382.74
_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  Sr1  1  0.96  0.29  0.0  1.0
  Sr  Sr2  1  0.0  0.57  0.0  1.0
  Sr  Sr3  1  0.02  0.43  0.52  1.0
  Sr  Sr4  1  0.98  0.43  0.52  1.0
  Sr  Sr5  1  0.96  0.0  0.52  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sr5Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.05
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Br
_chemical_formula_sum   'Sr5 Br1'
_cell_volume   382.74
_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  0.0  0.0  0.57  1.0
  Sr  Sr1  1  0.0  0.96  0.29  1.0
  Sr  Sr2  1  0.52  0.02  0.43  1.0
  Sr  Sr3  1  0.52  0.96  0.0  1.0
  Sr  Sr4  1  0.52  0.98  0.43  1.0
  Br  Br5  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Sr Br