data_SbAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.46
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   42.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs2Ru
_chemical_formula_sum   'Sb1 As2 Ru1'
_cell_volume   78.46
_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
  Sb  Sb3  1  0.49  0.0  0.2  1.0
  As  As0  1  0.58  0.0  0.19  1.0
  As  As1  1  0.41  0.0  0.21  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_SbAs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.25
_cell_length_c   6.46
_cell_angle_alpha   97.69
_cell_angle_beta   90.0
_cell_angle_gamma   111.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs2Ru
_chemical_formula_sum   'Sb1 As2 Ru1'
_cell_volume   78.46
_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
  Sb  Sb0  1  0.0  0.51  0.8  1.0
  As  As1  1  0.0  0.42  0.81  1.0
  As  As2  1  0.0  0.59  0.79  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Sb As As Ru
Sb As As Ru 0 2 o o o 0 1 o o o 0 3 o o o 1 3 + o o 1 3 o o o 2 3 o o o 