data_AsRuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   3.97
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   113.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRuBr2
_chemical_formula_sum   'As1 Ru1 Br2'
_cell_volume   86.07
_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
  As  As0  1  0.2  0.0  0.63  1.0
  Ru  Ru3  1  0.27  0.98  0.31  1.0
  Br  Br1  1  0.1  0.98  0.04  1.0
  Br  Br2  1  0.2  0.0  0.31  1.0

data_AsRuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.46
_cell_length_c   5.29
_cell_angle_alpha   113.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRuBr2
_chemical_formula_sum   'As1 Ru1 Br2'
_cell_volume   86.07
_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
  As  As0  1  0.0  0.8  0.37  1.0
  Ru  Ru1  1  0.02  0.73  0.69  1.0
  Br  Br2  1  0.0  0.8  0.69  1.0
  Br  Br3  1  0.02  0.9  0.96  1.0

As Ru Br Br