data_AgRuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   141.41
_cell_angle_beta   130.41
_cell_angle_gamma   64.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRuBr2
_chemical_formula_sum   'Ag1 Ru1 Br2'
_cell_volume   85.17
_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
  Ag  Ag0  1  0.0  0.0  0.79  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.87  0.0  0.6  1.0
  Br  Br2  1  0.0  0.38  0.19  1.0

data_AgRuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.75
_cell_length_c   5.66
_cell_angle_alpha   114.79
_cell_angle_beta   109.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRuBr2
_chemical_formula_sum   'Ag1 Ru1 Br2'
_cell_volume   85.17
_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
  Ag  Ag0  1  0.21  0.21  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.27  0.4  0.27  1.0
  Br  Br3  1  0.81  0.19  0.19  1.0

Ag Ru Br Br