data_Zn2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   135.49
_cell_angle_beta   135.49
_cell_angle_gamma   64.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbRu
_chemical_formula_sum   'Zn2 Sb1 Ru1'
_cell_volume   64.86
_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  0.94  0.0  0.16  1.0
  Zn  Zn3  1  0.0  0.94  0.16  1.0
  Sb  Sb1  1  0.0  0.0  0.32  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Zn2SbRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   122.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SbRu
_chemical_formula_sum   'Zn4 Sb2 Ru2'
_cell_volume   129.73
_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  4  0.31  0.47  0.78  1.0
  Sb  Sb1  2  0.18  0.5  0.68  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Zn Zn Sb Ru