data_BaMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   3.0
_cell_angle_alpha   103.71
_cell_angle_beta   103.71
_cell_angle_gamma   113.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2Pb
_chemical_formula_sum   'Ba1 Mo2 Pb1'
_cell_volume   91.6
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.02  0.53  0.36  1.0
  Mo  Mo2  1  0.02  0.47  0.36  1.0
  Pb  Pb3  1  0.33  0.0  0.0  1.0

data_BaMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   6.02
_cell_length_c   6.07
_cell_angle_alpha   119.39
_cell_angle_beta   103.71
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2Pb
_chemical_formula_sum   'Ba1 Mo2 Pb1'
_cell_volume   91.6
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.82  0.47  0.49  1.0
  Mo  Mo2  1  0.89  0.53  0.55  1.0
  Pb  Pb3  1  0.0  0.0  0.33  1.0

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