data_LaRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.6
_cell_length_c   3.43
_cell_angle_alpha   75.22
_cell_angle_beta   74.68
_cell_angle_gamma   30.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuPb
_chemical_formula_sum   'La1 Ru1 Pb1'
_cell_volume   72.49
_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  0.41  0.45  0.01  1.0
  Ru  Ru2  1  0.41  0.45  0.02  1.0
  Pb  Pb1  1  0.41  0.45  0.57  1.0

data_LaRuPb
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.43
_cell_length_b   12.3
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LaRuPb
_chemical_formula_sum   'La2 Ru2 Pb2'
_cell_volume   145.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.41  1.0
  Ru  Ru1  2  0.0  0.5  0.42  1.0
  Pb  Pb2  2  0.0  0.5  0.98  1.0

La Ru Pb