data_As2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.55
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   50.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuPb
_chemical_formula_sum   'As2 Ru1 Pb1'
_cell_volume   84.71
_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
  As  As0  1  0.21  0.0  0.09  1.0
  As  As1  1  0.69  0.0  0.26  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.95  0.0  0.18  1.0

data_As2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.15
_cell_length_c   6.55
_cell_angle_alpha   102.87
_cell_angle_beta   90.0
_cell_angle_gamma   115.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuPb
_chemical_formula_sum   'As2 Ru1 Pb1'
_cell_volume   84.71
_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
  As  As0  1  0.0  0.31  0.74  1.0
  As  As1  1  0.0  0.79  0.91  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.05  0.82  1.0

As As Ru Pb