data_BAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   144.85
_cell_angle_beta   144.85
_cell_angle_gamma   50.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Pb
_chemical_formula_sum   'B1 As2 Pb1'
_cell_volume   81.04
_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
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.89  0.0  0.83  1.0
  As  As1  1  0.0  0.89  0.83  1.0
  Pb  Pb3  1  0.0  0.0  0.66  1.0

data_BAs2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   115.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BAs2Pb
_chemical_formula_sum   'B2 As4 Pb2'
_cell_volume   162.09
_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
  B  B0  2  0.0  0.0  0.0  1.0
  As  As1  4  0.39  0.45  0.94  1.0
  Pb  Pb2  2  0.16  0.5  0.66  1.0

B As As Pb