data_LiLaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   151.22
_cell_angle_beta   151.22
_cell_angle_gamma   41.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaBr
_chemical_formula_sum   'Li1 La1 Br1'
_cell_volume   82.61
_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
  Li  Li2  1  0.0  0.0  0.79  1.0
  La  La1  1  0.0  0.0  0.63  1.0
  Br  Br0  1  0.0  0.0  0.14  1.0

data_LiLaBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaBr
_chemical_formula_sum   'Li2 La2 Br2'
_cell_volume   165.22
_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
  Li  Li0  2  0.29  0.5  0.79  1.0
  La  La1  2  0.13  0.5  0.63  1.0
  Br  Br2  2  0.14  0.0  0.14  1.0

Li La Br
Li La Br 0 1 o o o 0 2 o o + 