data_BiAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   138.1
_cell_angle_beta   138.1
_cell_angle_gamma   60.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAsRu2
_chemical_formula_sum   'Bi1 As1 Ru2'
_cell_volume   70.34
_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
  Bi  Bi1  1  0.94  0.0  0.34  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.68  1.0
  Ru  Ru3  1  0.0  0.94  0.34  1.0

data_BiAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.42
_cell_angle_alpha   110.95
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAsRu2
_chemical_formula_sum   'Bi1 As1 Ru2'
_cell_volume   70.34
_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
  Bi  Bi0  1  0.66  0.0  0.6  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.32  0.0  0.32  1.0
  Ru  Ru3  1  0.6  0.94  0.6  1.0

Bi As Ru Ru
Bi As Ru Ru 0 3 + - o 0 1 + o o 0 2 + o o 1 3 o - o 1 2 o o - 2 3 o - o 