data_Y2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   137.17
_cell_angle_beta   137.17
_cell_angle_gamma   62.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReNi
_chemical_formula_sum   'Y2 Re1 Ni1'
_cell_volume   80.39
_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  0.8  1.0
  Y  Y3  1  0.0  0.05  0.4  1.0
  Re  Re1  1  0.05  0.0  0.4  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Y2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.6
_cell_angle_alpha   111.42
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReNi
_chemical_formula_sum   'Y2 Re1 Ni1'
_cell_volume   80.39
_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  0.35  0.4  0.35  1.0
  Y  Y1  1  0.8  0.8  0.8  1.0
  Re  Re2  1  0.4  0.35  0.35  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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