data_AgRuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   152.44
_cell_angle_beta   152.44
_cell_angle_gamma   39.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRuBr
_chemical_formula_sum   'Ag1 Ru1 Br1'
_cell_volume   57.65
_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  0.28  1.0
  Ru  Ru2  1  0.0  0.0  0.27  1.0
  Br  Br1  1  0.0  0.0  0.61  1.0

data_AgRuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgRuBr
_chemical_formula_sum   'Ag2 Ru2 Br2'
_cell_volume   115.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.0  0.28  1.0
  Ru  Ru1  2  0.27  0.0  0.27  1.0
  Br  Br2  2  0.11  0.5  0.61  1.0

Ag Ru Br
Ag Ru Br 0 1 o o o 0 2 o o o 1 2 o o o 