data_Ru2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.87
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   42.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2AuSe
_chemical_formula_sum   'Ru2 Au1 Se1'
_cell_volume   65.56
_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  0.07  0.0  0.61  1.0
  Ru  Ru2  1  0.46  0.0  0.15  1.0
  Au  Au0  1  0.26  0.0  0.88  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ru2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.08
_cell_length_c   5.87
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2AuSe
_chemical_formula_sum   'Ru2 Au1 Se1'
_cell_volume   65.56
_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  0.54  0.85  1.0
  Ru  Ru1  1  0.0  0.93  0.39  1.0
  Au  Au2  1  0.0  0.74  0.12  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ru Ru Au Se
Ru Ru Au Se 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o + 