data_Ru3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.45
_cell_angle_alpha   91.73
_cell_angle_beta   91.73
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Se
_chemical_formula_sum   'Ru3 Se1'
_cell_volume   59.42
_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  0.6  0.0  0.22  1.0
  Ru  Ru1  1  0.21  0.0  0.18  1.0
  Ru  Ru2  1  1.0  0.0  0.27  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ru3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.45
_cell_length_c   4.89
_cell_angle_alpha   91.73
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Se
_chemical_formula_sum   'Ru3 Se1'
_cell_volume   59.42
_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  0.18  0.21  1.0
  Ru  Ru1  1  0.0  0.22  0.6  1.0
  Ru  Ru2  1  0.0  0.27  1.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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