data_BeAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   137.85
_cell_angle_beta   137.85
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsPb2
_chemical_formula_sum   'Be1 As1 Pb2'
_cell_volume   96.41
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.16  0.59  1.0
  Pb  Pb2  1  0.16  0.0  0.59  1.0
  Pb  Pb3  1  0.0  0.0  0.17  1.0

data_BeAsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.0
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsPb2
_chemical_formula_sum   'Be1 As1 Pb2'
_cell_volume   96.41
_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
  As  As1  1  0.57  0.16  0.57  1.0
  Pb  Pb2  1  0.41  0.0  0.57  1.0
  Pb  Pb3  1  0.83  0.0  0.83  1.0

Be As Pb Pb
Be As Pb Pb 0 3 o o o 1 2 o o o 