data_YZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   144.98
_cell_angle_beta   131.66
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnRe2
_chemical_formula_sum   'Y1 Zn1 Re2'
_cell_volume   69.96
_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  Y2  1  0.0  0.0  0.72  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.24  0.43  1.0
  Re  Re1  1  0.65  0.0  0.29  1.0

data_YZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.49
_cell_length_c   5.48
_cell_angle_alpha   114.17
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnRe2
_chemical_formula_sum   'Y1 Zn1 Re2'
_cell_volume   69.96
_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  0.28  0.28  0.28  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.36  0.71  0.36  1.0
  Re  Re3  1  0.57  0.81  0.81  1.0

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