data_As2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.15
_cell_angle_alpha   96.57
_cell_angle_beta   96.57
_cell_angle_gamma   47.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuBr
_chemical_formula_sum   'As2 Ru1 Br1'
_cell_volume   85.13
_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  0.46  0.0  0.72  1.0
  As  As1  1  0.03  0.0  0.37  1.0
  Ru  Ru3  1  0.25  0.0  0.55  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_As2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.03
_cell_length_c   7.15
_cell_angle_alpha   96.57
_cell_angle_beta   90.0
_cell_angle_gamma   113.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuBr
_chemical_formula_sum   'As2 Ru1 Br1'
_cell_volume   85.13
_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  0.54  0.28  1.0
  As  As1  1  0.0  0.97  0.63  1.0
  Ru  Ru2  1  0.0  0.75  0.45  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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