data_SrLiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   150.71
_cell_angle_beta   145.34
_cell_angle_gamma   46.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiBr2
_chemical_formula_sum   'Sr1 Li1 Br2'
_cell_volume   130.47
_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  0.32  0.02  1.0
  Li  Li2  1  0.0  0.0  0.54  1.0
  Br  Br0  1  0.0  0.0  0.72  1.0
  Br  Br1  1  0.97  0.0  0.36  1.0

data_SrLiBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.63
_cell_length_c   7.78
_cell_angle_alpha   107.33
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiBr2
_chemical_formula_sum   'Sr1 Li1 Br2'
_cell_volume   130.47
_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  0.98  0.3  0.3  1.0
  Li  Li1  1  0.46  0.46  0.46  1.0
  Br  Br2  1  0.28  0.28  0.28  1.0
  Br  Br3  1  0.6  0.64  0.6  1.0

Sr Li Br Br
Sr Li Br Br 0 2 o o - 1 3 - o o 1 2 o o o 