data_AsRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.78
_cell_angle_alpha   104.68
_cell_angle_beta   104.68
_cell_angle_gamma   45.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRu2Pb
_chemical_formula_sum   'As1 Ru2 Pb1'
_cell_volume   74.25
_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  0.0  0.0  1.0
  Ru  Ru2  1  0.26  0.0  0.36  1.0
  Ru  Ru3  1  0.25  0.0  0.16  1.0
  Pb  Pb1  1  0.75  0.0  0.26  1.0

data_AsRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.0
_cell_length_c   6.78
_cell_angle_alpha   104.68
_cell_angle_beta   90.0
_cell_angle_gamma   112.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRu2Pb
_chemical_formula_sum   'As1 Ru2 Pb1'
_cell_volume   74.25
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.74  0.64  1.0
  Ru  Ru2  1  0.0  0.75  0.84  1.0
  Pb  Pb3  1  0.0  0.25  0.74  1.0

As Ru Ru Pb
As Ru Ru Pb 0 2 o o o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 