data_RuSe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   6.48
_cell_angle_alpha   114.76
_cell_angle_beta   114.76
_cell_angle_gamma   33.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuSe2Br
_chemical_formula_sum   'Ru1 Se2 Br1'
_cell_volume   108.53
_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
  Ru  Ru1  1  0.33  0.0  0.1  1.0
  Se  Se2  1  0.66  0.0  0.42  1.0
  Se  Se3  1  0.9  0.0  0.81  1.0
  Br  Br0  1  0.05  0.0  0.23  1.0

data_RuSe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.84
_cell_length_c   6.48
_cell_angle_alpha   114.76
_cell_angle_beta   90.0
_cell_angle_gamma   106.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuSe2Br
_chemical_formula_sum   'Ru1 Se2 Br1'
_cell_volume   108.53
_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
  Ru  Ru0  1  0.0  0.67  0.9  1.0
  Se  Se1  1  0.0  0.1  0.19  1.0
  Se  Se2  1  0.0  0.34  0.58  1.0
  Br  Br3  1  0.0  0.95  0.77  1.0

Ru Se Se Br