data_SrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   145.4
_cell_angle_beta   136.18
_cell_angle_gamma   56.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBr3
_chemical_formula_sum   'Sr1 Br3'
_cell_volume   136.74
_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  Sr3  1  0.0  0.0  0.2  1.0
  Br  Br0  1  0.1  0.0  0.93  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.63  0.27  1.0

data_SrBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.26
_cell_length_c   7.05
_cell_angle_alpha   111.91
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBr3
_chemical_formula_sum   'Sr1 Br3'
_cell_volume   136.74
_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  0.8  0.8  0.8  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.17  0.07  0.17  1.0
  Br  Br3  1  0.73  0.36  0.36  1.0

Sr Br Br Br