data_LaMnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   152.44
_cell_angle_beta   141.75
_cell_angle_gamma   47.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnPb2
_chemical_formula_sum   'La1 Mn1 Pb2'
_cell_volume   103.25
_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  0.33  0.88  1.0
  Mn  Mn1  1  0.0  0.0  0.86  1.0
  Pb  Pb2  1  0.0  0.33  0.58  1.0
  Pb  Pb3  1  0.0  0.0  0.23  1.0

data_LaMnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.67
_cell_length_c   7.13
_cell_angle_alpha   109.13
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnPb2
_chemical_formula_sum   'La1 Mn1 Pb2'
_cell_volume   103.25
_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  0.12  0.46  0.46  1.0
  Mn  Mn1  1  0.14  0.14  0.14  1.0
  Pb  Pb2  1  0.42  0.75  0.75  1.0
  Pb  Pb3  1  0.77  0.77  0.77  1.0

La Mn Pb Pb
La Mn Pb Pb 0 1 o o o 0 2 o o o 1 3 o o + 2 3 o o o 