data_Y2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   134.44
_cell_angle_beta   134.44
_cell_angle_gamma   66.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MoPb
_chemical_formula_sum   'Y2 Mo1 Pb1'
_cell_volume   97.99
_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
  Y  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.25  0.0  0.43  1.0
  Mo  Mo0  1  0.0  0.0  0.86  1.0
  Pb  Pb1  1  0.0  0.25  0.43  1.0

data_Y2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.8
_cell_angle_alpha   112.78
_cell_angle_beta   112.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MoPb
_chemical_formula_sum   'Y2 Mo1 Pb1'
_cell_volume   97.99
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.43  0.18  0.18  1.0
  Mo  Mo2  1  0.86  0.86  0.86  1.0
  Pb  Pb3  1  0.18  0.43  0.18  1.0

Y Y Mo Pb
Y Y Mo Pb 0 2 o o - 0 1 o o o 0 3 o o o 1 3 o o o 