data_AgRuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRuCl
_chemical_formula_sum   'Ag1 Ru1 Cl1'
_cell_volume   51.38
_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  0.23  0.29  0.49  1.0
  Ru  Ru2  1  0.0  0.58  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_AgRuCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.46
_cell_length_b   2.98
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AgRuCl
_chemical_formula_sum   'Ag1 Ru1 Cl1'
_cell_volume   51.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.23  0.5  0.29  1.0
  Ru  Ru1  1  0.0  0.0  0.58  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Ag Ru Cl
Ag Ru Cl 0 2 o o o 0 2 o o + 1 2 o + o 