data_Zn2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   8.28
_cell_angle_alpha   21.1
_cell_angle_beta   21.1
_cell_angle_gamma   21.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuCl
_chemical_formula_sum   'Zn2 Ru1 Cl1'
_cell_volume   64.44
_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  0.0  0.0  0.22  1.0
  Zn  Zn3  1  0.0  0.0  0.17  1.0
  Ru  Ru1  1  0.0  0.0  0.06  1.0
  Cl  Cl0  1  0.0  0.0  0.24  1.0

data_Zn2RuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2RuCl
_chemical_formula_sum   'Zn4 Ru2 Cl2'
_cell_volume   128.89
_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
  Zn  Zn0  2  0.0  0.0  0.78  1.0
  Zn  Zn1  2  0.0  0.0  0.83  1.0
  Ru  Ru2  2  0.0  0.0  0.94  1.0
  Cl  Cl3  2  0.0  0.0  0.76  1.0

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