data_MgZnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   146.72
_cell_angle_beta   130.16
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnRu2
_chemical_formula_sum   'Mg1 Zn1 Ru2'
_cell_volume   59.0
_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
  Mg  Mg0  1  0.0  0.0  0.76  1.0
  Zn  Zn3  1  0.49  0.0  0.41  1.0
  Ru  Ru1  1  0.49  0.0  0.1  1.0
  Ru  Ru2  1  0.0  0.0  0.21  1.0

data_MgZnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.4
_cell_length_c   5.22
_cell_angle_alpha   114.92
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnRu2
_chemical_formula_sum   'Mg1 Zn1 Ru2'
_cell_volume   59.0
_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
  Mg  Mg0  1  0.24  0.24  0.24  1.0
  Zn  Zn1  1  0.09  0.59  0.09  1.0
  Ru  Ru2  1  0.4  0.9  0.4  1.0
  Ru  Ru3  1  0.79  0.79  0.79  1.0

Mg Zn Ru Ru
Mg Zn Ru Ru 0 1 - o o 0 3 o o + 0 2 o o + 1 2 o o o 1 3 o o o 2 3 + o o 