data_LaZnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   24.57
_cell_angle_beta   24.57
_cell_angle_gamma   24.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnRu2
_chemical_formula_sum   'La1 Zn1 Ru2'
_cell_volume   73.52
_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
  La  La0  1  0.0  0.0  0.41  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.99  1.0
  Ru  Ru2  1  0.0  0.0  0.84  1.0

data_LaZnRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZnRu2
_chemical_formula_sum   'La2 Zn2 Ru4'
_cell_volume   147.04
_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
  La  La0  2  0.0  0.0  0.59  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.01  1.0
  Ru  Ru3  2  0.0  0.0  0.16  1.0

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