data_YZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.73
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   42.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Ru
_chemical_formula_sum   'Y1 Zn2 Ru1'
_cell_volume   71.52
_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
  Y  Y1  1  0.91  0.0  0.2  1.0
  Zn  Zn2  1  0.1  0.0  0.27  1.0
  Zn  Zn3  1  0.43  0.0  0.08  1.0
  Ru  Ru0  1  0.57  0.0  0.96  1.0

data_YZn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.73
_cell_length_c   4.94
_cell_angle_alpha   111.72
_cell_angle_beta   111.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Ru
_chemical_formula_sum   'Y1 Zn2 Ru1'
_cell_volume   71.52
_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
  Y  Y0  1  0.0  0.2  0.91  1.0
  Zn  Zn1  1  0.0  0.08  0.43  1.0
  Zn  Zn2  1  0.0  0.27  0.1  1.0
  Ru  Ru3  1  0.0  0.96  0.57  1.0

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