data_Zn2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.3
_cell_angle_alpha   110.52
_cell_angle_beta   110.52
_cell_angle_gamma   32.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuCl
_chemical_formula_sum   'Zn2 Ru1 Cl1'
_cell_volume   62.02
_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
  Zn  Zn2  1  0.5  0.0  0.09  1.0
  Zn  Zn3  1  0.21  0.0  0.92  1.0
  Ru  Ru1  1  0.36  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zn2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.3
_cell_length_c   5.36
_cell_angle_alpha   110.52
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuCl
_chemical_formula_sum   'Zn2 Ru1 Cl1'
_cell_volume   62.02
_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
  Zn  Zn0  1  0.0  0.09  0.5  1.0
  Zn  Zn1  1  0.0  0.92  0.21  1.0
  Ru  Ru2  1  0.0  0.0  0.36  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zn Zn Ru Cl
Zn Zn Ru Cl 0 2 o o o 1 2 o o + 1 3 o o + 