data_Ba2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   153.83
_cell_angle_beta   153.83
_cell_angle_gamma   37.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RuBr
_chemical_formula_sum   'Ba2 Ru1 Br1'
_cell_volume   136.49
_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
  Ba  Ba0  1  0.0  0.0  0.08  1.0
  Ba  Ba1  1  0.01  0.0  0.82  1.0
  Ru  Ru3  1  0.0  0.01  0.32  1.0
  Br  Br2  1  0.0  0.0  0.62  1.0

data_Ba2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   8.89
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RuBr
_chemical_formula_sum   'Ba2 Ru1 Br1'
_cell_volume   136.49
_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
  Ba  Ba0  1  0.2  0.18  0.2  1.0
  Ba  Ba1  1  0.92  0.92  0.92  1.0
  Ru  Ru2  1  0.68  0.69  0.69  1.0
  Br  Br3  1  0.38  0.38  0.38  1.0

Ba Ba Ru Br