data_BeMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   140.88
_cell_angle_beta   127.04
_cell_angle_gamma   67.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMo2Pb
_chemical_formula_sum   'Be1 Mo2 Pb1'
_cell_volume   65.45
_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
  Be  Be0  1  0.0  0.0  0.44  1.0
  Mo  Mo1  1  0.0  0.27  0.16  1.0
  Mo  Mo2  1  0.0  0.0  0.99  1.0
  Pb  Pb3  1  0.0  0.27  0.1  1.0

data_BeMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.54
_cell_length_c   5.09
_cell_angle_alpha   116.48
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMo2Pb
_chemical_formula_sum   'Be1 Mo2 Pb1'
_cell_volume   65.45
_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
  Be  Be0  1  0.0  0.44  0.44  1.0
  Mo  Mo1  1  0.0  0.99  0.99  1.0
  Mo  Mo2  1  0.73  0.89  0.89  1.0
  Pb  Pb3  1  0.73  0.83  0.83  1.0

Be Mo Mo Pb