data_La2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   151.5
_cell_angle_beta   150.46
_cell_angle_gamma   41.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PdBr
_chemical_formula_sum   'La2 Pd1 Br1'
_cell_volume   116.74
_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
  La  La1  1  0.95  0.0  0.48  1.0
  La  La2  1  0.0  0.0  0.54  1.0
  Pd  Pd3  1  0.95  0.0  0.76  1.0
  Br  Br0  1  0.0  0.0  0.44  1.0

data_La2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.04
_cell_length_c   7.92
_cell_angle_alpha   104.77
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PdBr
_chemical_formula_sum   'La2 Pd1 Br1'
_cell_volume   116.74
_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
  La  La0  1  0.46  0.46  0.46  1.0
  La  La1  1  0.47  0.52  0.47  1.0
  Pd  Pd2  1  0.19  0.24  0.19  1.0
  Br  Br3  1  0.56  0.56  0.56  1.0

La La Pd Br