data_Ba2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   124.86
_cell_angle_beta   124.86
_cell_angle_gamma   81.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RuPb
_chemical_formula_sum   'Ba2 Ru1 Pb1'
_cell_volume   120.0
_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
  Ba  Ba0  1  0.64  0.0  0.15  1.0
  Ba  Ba1  1  0.0  0.0  0.31  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.64  0.15  1.0

data_Ba2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.7
_cell_angle_alpha   117.57
_cell_angle_beta   117.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RuPb
_chemical_formula_sum   'Ba2 Ru1 Pb1'
_cell_volume   120.0
_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
  Ba  Ba0  1  0.69  0.0  0.69  1.0
  Ba  Ba1  1  0.85  0.0  0.48  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.48  0.64  0.48  1.0

Ba Ba Ru Pb