data_BaRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuCl2
_chemical_formula_sum   'Ba1 Ru1 Cl2'
_cell_volume   105.89
_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  0.47  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.0  0.33  1.0
  Cl  Cl1  1  0.0  0.0  0.1  1.0
  Cl  Cl2  1  0.47  0.0  0.83  1.0

data_BaRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuCl2
_chemical_formula_sum   'Ba1 Ru1 Cl2'
_cell_volume   105.89
_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  0.47  0.0  0.8  1.0
  Ru  Ru1  1  0.0  0.0  0.33  1.0
  Cl  Cl2  1  0.0  0.0  0.1  1.0
  Cl  Cl3  1  0.47  0.0  0.83  1.0

Ba Ru Cl Cl
Ba Ru Cl Cl 0 3 o o o 1 2 o o o 