data_BeAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.35
_cell_length_c   3.28
_cell_angle_alpha   80.3
_cell_angle_beta   70.53
_cell_angle_gamma   29.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsPb
_chemical_formula_sum   'Be1 As1 Pb1'
_cell_volume   61.26
_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  Be1  1  0.87  0.69  0.98  1.0
  As  As0  1  0.87  0.69  0.25  1.0
  Pb  Pb2  1  0.87  0.69  0.9  1.0

data_BeAsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.75
_cell_length_b   12.13
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   124.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAsPb
_chemical_formula_sum   'Be2 As2 Pb2'
_cell_volume   122.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.45  0.0  0.15  1.0
  As  As1  2  0.18  0.0  0.87  1.0
  Pb  Pb2  2  0.03  0.5  0.22  1.0

Be As Pb
Be As Pb 0 2 o o o 0 1 o o + 