data_LaPb2Br
_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   149.13
_cell_angle_beta   142.39
_cell_angle_gamma   49.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb2Br
_chemical_formula_sum   'La1 Pb2 Br1'
_cell_volume   125.9
_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  0.0  0.0  0.71  1.0
  Pb  Pb2  1  0.0  0.38  0.92  1.0
  Pb  Pb3  1  0.97  0.0  0.8  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.77
_cell_length_c   7.39
_cell_angle_alpha   108.81
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb2Br
_chemical_formula_sum   'La1 Pb2 Br1'
_cell_volume   125.9
_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  0.0  0.71  0.71  1.0
  Pb  Pb1  1  0.0  0.8  0.83  1.0
  Pb  Pb2  1  0.62  0.54  0.54  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La Pb Pb Br