data_AgRu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRu2Se
_chemical_formula_sum   'Ag1 Ru2 Se1'
_cell_volume   61.69
_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
  Ag  Ag0  1  0.0  0.0  0.37  1.0
  Ru  Ru1  1  0.51  0.51  0.3  1.0
  Ru  Ru2  1  0.51  0.51  0.44  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_AgRu2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgRu2Se
_chemical_formula_sum   'Ag2 Ru4 Se2'
_cell_volume   123.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ag  Ag0  2  0.0  0.0  0.37  1.0
  Ru  Ru1  2  0.01  0.5  0.3  1.0
  Ru  Ru2  2  0.01  0.5  0.44  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

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