data_BaMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.25
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   99.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoPb2
_chemical_formula_sum   'Ba1 Mo1 Pb2'
_cell_volume   127.85
_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  0.03  0.63  0.23  1.0
  Mo  Mo1  1  0.86  0.0  0.73  1.0
  Pb  Pb2  1  0.97  0.63  0.33  1.0
  Pb  Pb3  1  0.7  0.0  0.4  1.0

data_BaMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.25
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   99.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoPb2
_chemical_formula_sum   'Ba1 Mo1 Pb2'
_cell_volume   127.85
_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  0.03  0.63  0.23  1.0
  Mo  Mo1  1  0.86  0.0  0.73  1.0
  Pb  Pb2  1  0.7  0.0  0.4  1.0
  Pb  Pb3  1  0.97  0.63  0.33  1.0

Ba Mo Pb Pb
Ba Mo Pb Pb 0 2 - o o 1 3 o o o 2 3 o + o 