data_CdRu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   149.94
_cell_angle_beta   131.3
_cell_angle_gamma   58.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu2Br
_chemical_formula_sum   'Cd1 Ru2 Br1'
_cell_volume   70.72
_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
  Cd  Cd1  1  0.0  0.37  0.53  1.0
  Ru  Ru2  1  0.0  0.0  0.32  1.0
  Ru  Ru3  1  0.49  0.0  0.47  1.0
  Br  Br0  1  0.0  0.0  0.71  1.0

data_CdRu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.74
_cell_length_c   5.74
_cell_angle_alpha   114.35
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu2Br
_chemical_formula_sum   'Cd1 Ru2 Br1'
_cell_volume   70.72
_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
  Cd  Cd0  1  0.63  0.16  0.16  1.0
  Ru  Ru1  1  0.0  0.32  0.32  1.0
  Ru  Ru2  1  0.0  0.47  0.98  1.0
  Br  Br3  1  0.0  0.71  0.71  1.0

Cd Ru Ru Br