data_MoAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.49
_cell_angle_alpha   94.98
_cell_angle_beta   94.98
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsRu2
_chemical_formula_sum   'Mo1 As1 Ru2'
_cell_volume   59.78
_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  0.14  0.0  0.42  1.0
  As  As0  1  0.44  0.0  0.19  1.0
  Ru  Ru2  1  0.59  0.0  0.47  1.0
  Ru  Ru3  1  0.69  0.0  0.09  1.0

data_MoAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.49
_cell_length_c   4.85
_cell_angle_alpha   94.98
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsRu2
_chemical_formula_sum   'Mo1 As1 Ru2'
_cell_volume   59.78
_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  Mo0  1  0.0  0.42  0.14  1.0
  As  As1  1  0.0  0.19  0.44  1.0
  Ru  Ru2  1  0.0  0.09  0.69  1.0
  Ru  Ru3  1  0.0  0.47  0.59  1.0

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