data_BePbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.79
_cell_angle_alpha   98.0
_cell_angle_beta   98.0
_cell_angle_gamma   39.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePbW2
_chemical_formula_sum   'Be1 Pb1 W2'
_cell_volume   69.74
_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  0.0  1.0
  Pb  Pb1  1  0.2  0.0  0.37  1.0
  W  W2  1  0.72  0.0  0.78  1.0
  W  W3  1  0.68  0.0  0.96  1.0

data_BePbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.79
_cell_length_c   4.83
_cell_angle_alpha   98.0
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePbW2
_chemical_formula_sum   'Be1 Pb1 W2'
_cell_volume   69.74
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.37  0.2  1.0
  W  W2  1  0.0  0.78  0.72  1.0
  W  W3  1  0.0  0.96  0.68  1.0

Be Pb W W
Be Pb W W 0 2 - o - 0 3 - o - 0 1 o o o 2 3 o o o 