data_LiLa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   150.52
_cell_angle_beta   134.22
_cell_angle_gamma   55.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Br
_chemical_formula_sum   'Li1 La2 Br1'
_cell_volume   126.72
_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  Li3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.81  0.0  0.69  1.0
  La  La2  1  0.0  0.77  0.62  1.0
  Br  Br0  1  0.0  0.0  0.31  1.0

data_LiLa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.54
_cell_length_c   7.12
_cell_angle_alpha   112.89
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Br
_chemical_formula_sum   'Li1 La2 Br1'
_cell_volume   126.72
_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  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.12  0.31  0.12  1.0
  La  La2  1  0.38  0.15  0.15  1.0
  Br  Br3  1  0.69  0.69  0.69  1.0

Li La La Br