data_La5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Pb
_chemical_formula_sum   'La5 Pb1'
_cell_volume   206.76
_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  0.38  0.0  1.0  1.0
  La  La1  1  0.97  0.67  1.0  1.0
  La  La2  1  0.81  0.79  1.0  1.0
  La  La3  1  0.16  0.82  0.0  1.0
  La  La4  1  0.0  0.64  0.0  1.0
  Pb  Pb5  1  0.0  0.0  0.0  1.0

data_La5Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.31
_cell_length_b   6.0
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La5Pb
_chemical_formula_sum   'La5 Pb1'
_cell_volume   206.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.64  1.0
  La  La1  1  0.16  0.0  0.82  1.0
  La  La2  1  0.38  0.0  0.0  1.0
  La  La3  1  0.81  0.0  0.79  1.0
  La  La4  1  0.97  0.0  0.67  1.0
  Pb  Pb5  1  0.0  0.0  0.0  1.0

La La La La La Pb