data_YAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   136.67
_cell_angle_beta   136.67
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAsRu2
_chemical_formula_sum   'Y1 As1 Ru2'
_cell_volume   67.54
_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
  Y  Y3  1  0.0  0.94  0.24  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.94  0.0  0.24  1.0
  Ru  Ru2  1  0.0  0.0  0.48  1.0

data_YAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.26
_cell_angle_alpha   111.67
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAsRu2
_chemical_formula_sum   'Y1 As1 Ru2'
_cell_volume   67.54
_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
  Y  Y0  1  0.3  0.24  0.3  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.24  0.3  0.3  1.0
  Ru  Ru3  1  0.48  0.48  0.48  1.0

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