data_MoAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   131.79
_cell_angle_beta   131.79
_cell_angle_gamma   70.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsRu2
_chemical_formula_sum   'Mo1 As1 Ru2'
_cell_volume   58.26
_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
  Mo  Mo1  1  0.0  0.0  0.87  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.94  0.94  1.0
  Ru  Ru3  1  0.94  0.0  0.94  1.0

data_MoAsRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   125.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAsRu2
_chemical_formula_sum   'Mo2 As2 Ru4'
_cell_volume   116.52
_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
  Mo  Mo0  2  0.13  0.0  0.13  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.03  0.03  0.0  1.0

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