data_NaLa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   151.65
_cell_angle_beta   135.28
_cell_angle_gamma   53.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Br
_chemical_formula_sum   'Na1 La2 Br1'
_cell_volume   133.85
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.81  0.0  0.88  1.0
  La  La2  1  0.0  0.81  0.7  1.0
  Br  Br0  1  0.0  0.0  0.59  1.0

data_NaLa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.62
_cell_length_c   7.39
_cell_angle_alpha   112.36
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Br
_chemical_formula_sum   'Na1 La2 Br1'
_cell_volume   133.85
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.3  0.11  0.11  1.0
  La  La2  1  0.92  0.12  0.92  1.0
  Br  Br3  1  0.41  0.41  0.41  1.0

Na La La Br