data_SrLiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.19
_cell_length_c   4.07
_cell_angle_alpha   81.1
_cell_angle_beta   67.38
_cell_angle_gamma   31.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiBr
_chemical_formula_sum   'Sr1 Li1 Br1'
_cell_volume   101.39
_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  0.13  0.47  0.71  1.0
  Li  Li1  1  0.13  0.47  0.75  1.0
  Br  Br0  1  0.13  0.47  0.27  1.0

data_SrLiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   13.73
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   121.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLiBr
_chemical_formula_sum   'Sr2 Li2 Br2'
_cell_volume   202.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.21  0.5  0.84  1.0
  Li  Li1  2  0.25  0.5  0.88  1.0
  Br  Br2  2  0.27  0.0  0.39  1.0

Sr Li Br
Sr Li Br 0 1 o o o 0 2 o o + 0 2 o o o 1 2 o o + 1 2 o o o 