data_Sb2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.44
_cell_angle_alpha   98.82
_cell_angle_beta   98.82
_cell_angle_gamma   102.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuSe
_chemical_formula_sum   'Sb2 Ru1 Se1'
_cell_volume   83.53
_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
  Sb  Sb1  1  0.16  0.03  0.67  1.0
  Sb  Sb2  1  0.16  0.97  0.67  1.0
  Ru  Ru0  1  0.17  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Sb2RuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   102.48
_cell_angle_beta   98.82
_cell_angle_gamma   98.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuSe
_chemical_formula_sum   'Sb2 Ru1 Se1'
_cell_volume   83.53
_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
  Sb  Sb0  1  0.67  0.16  0.03  1.0
  Sb  Sb1  1  0.67  0.16  0.97  1.0
  Ru  Ru2  1  -0.0  0.17  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Sb Ru Se
Sb Sb Ru Se 0 1 o - o 2 3 o o o 