data_BaMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   133.36
_cell_angle_beta   133.36
_cell_angle_gamma   68.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoPb2
_chemical_formula_sum   'Ba1 Mo1 Pb2'
_cell_volume   120.98
_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  0.0  0.44  0.55  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.44  0.0  0.55  1.0
  Pb  Pb3  1  0.0  0.0  0.1  1.0

data_BaMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.15
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoPb2
_chemical_formula_sum   'Ba1 Mo1 Pb2'
_cell_volume   120.98
_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  0.11  0.55  0.11  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.1  0.1  0.1  1.0
  Pb  Pb3  1  0.55  0.11  0.11  1.0

Ba Mo Pb Pb