data_YZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.91
_cell_angle_alpha   100.43
_cell_angle_beta   100.43
_cell_angle_gamma   43.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnRe2
_chemical_formula_sum   'Y1 Zn1 Re2'
_cell_volume   78.43
_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  0.58  0.0  0.88  1.0
  Zn  Zn3  1  0.89  0.0  0.11  1.0
  Re  Re0  1  0.11  0.0  0.66  1.0
  Re  Re1  1  0.26  0.0  0.85  1.0

data_YZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.45
_cell_length_c   5.91
_cell_angle_alpha   100.43
_cell_angle_beta   90.0
_cell_angle_gamma   111.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnRe2
_chemical_formula_sum   'Y1 Zn1 Re2'
_cell_volume   78.43
_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  0.42  0.12  1.0
  Zn  Zn1  1  0.0  0.11  0.89  1.0
  Re  Re2  1  0.0  0.74  0.15  1.0
  Re  Re3  1  0.0  0.89  0.34  1.0

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