data_YReNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReNi6
_chemical_formula_sum   'Y4 Re4 Ni24'
_cell_volume   416.12
_cell_formula_units_Z   4
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  Y28  1  0.71  0.31  0.0  1.0
  Y  Y29  1  0.71  0.69  0.0  1.0
  Y  Y30  1  0.0  0.0  0.89  1.0
  Y  Y31  1  0.0  0.0  0.7  1.0
  Re  Re24  1  0.71  0.2  0.3  1.0
  Re  Re25  1  0.71  0.8  0.3  1.0
  Re  Re26  1  0.71  0.0  0.93  1.0
  Re  Re27  1  0.71  0.0  0.67  1.0
  Ni  Ni0  1  0.71  0.46  0.78  1.0
  Ni  Ni1  1  0.95  0.71  0.15  1.0
  Ni  Ni2  1  0.47  0.29  0.15  1.0
  Ni  Ni3  1  0.71  0.54  0.78  1.0
  Ni  Ni4  1  0.47  0.71  0.15  1.0
  Ni  Ni5  1  0.95  0.29  0.15  1.0
  Ni  Ni6  1  0.0  0.0  0.3  1.0
  Ni  Ni7  1  0.45  0.39  0.53  1.0
  Ni  Ni8  1  0.45  0.61  0.53  1.0
  Ni  Ni9  1  0.71  0.46  0.81  1.0
  Ni  Ni10  1  0.97  0.61  0.07  1.0
  Ni  Ni11  1  0.45  0.39  0.07  1.0
  Ni  Ni12  1  0.71  0.54  0.81  1.0
  Ni  Ni13  1  0.45  0.61  0.07  1.0
  Ni  Ni14  1  0.97  0.39  0.07  1.0
  Ni  Ni15  1  0.0  0.0  0.0  1.0
  Ni  Ni16  1  0.47  0.29  0.44  1.0
  Ni  Ni17  1  0.47  0.71  0.44  1.0
  Ni  Ni18  1  0.71  0.0  0.3  1.0
  Ni  Ni19  1  0.97  0.39  0.53  1.0
  Ni  Ni20  1  0.97  0.61  0.53  1.0
  Ni  Ni21  1  0.71  0.0  0.0  1.0
  Ni  Ni22  1  0.95  0.29  0.44  1.0
  Ni  Ni23  1  0.95  0.71  0.44  1.0

data_YReNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReNi6
_chemical_formula_sum   'Y4 Re4 Ni24'
_cell_volume   416.12
_cell_formula_units_Z   4
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  0.0  0.7  1.0
  Y  Y1  1  0.0  0.0  0.89  1.0
  Y  Y2  1  0.71  0.31  0.0  1.0
  Y  Y3  1  0.71  0.69  0.0  1.0
  Re  Re4  1  0.71  0.0  0.67  1.0
  Re  Re5  1  0.71  0.0  0.93  1.0
  Re  Re6  1  0.71  0.2  0.3  1.0
  Re  Re7  1  0.71  0.8  0.3  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.3  1.0
  Ni  Ni10  1  0.45  0.39  0.07  1.0
  Ni  Ni11  1  0.45  0.39  0.53  1.0
  Ni  Ni12  1  0.45  0.61  0.07  1.0
  Ni  Ni13  1  0.45  0.61  0.53  1.0
  Ni  Ni14  1  0.47  0.29  0.15  1.0
  Ni  Ni15  1  0.47  0.29  0.44  1.0
  Ni  Ni16  1  0.47  0.71  0.15  1.0
  Ni  Ni17  1  0.47  0.71  0.44  1.0
  Ni  Ni18  1  0.71  0.0  0.0  1.0
  Ni  Ni19  1  0.71  0.0  0.3  1.0
  Ni  Ni20  1  0.71  0.46  0.78  1.0
  Ni  Ni21  1  0.71  0.46  0.81  1.0
  Ni  Ni22  1  0.71  0.54  0.78  1.0
  Ni  Ni23  1  0.71  0.54  0.81  1.0
  Ni  Ni24  1  0.95  0.29  0.15  1.0
  Ni  Ni25  1  0.95  0.29  0.44  1.0
  Ni  Ni26  1  0.95  0.71  0.15  1.0
  Ni  Ni27  1  0.95  0.71  0.44  1.0
  Ni  Ni28  1  0.97  0.39  0.07  1.0
  Ni  Ni29  1  0.97  0.39  0.53  1.0
  Ni  Ni30  1  0.97  0.61  0.07  1.0
  Ni  Ni31  1  0.97  0.61  0.53  1.0

Y Y Y Y Re Re Re Re Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Y Y Y Y Re Re Re Re Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 10 o o o 0 17 o o - 0 19 o o o 0 6 o o - 0 29 o o o 0 13 o o o 0 22 o o o 0 18 o o o 0 1 o o o 1 21 o o o 1 19 o o o 1 6 o + - 1 29 o + o 1 12 o o o 1 20 o o - 1 18 o o o 1 23 + + o 1 9 o o o 2 23 o o + 2 3 o o o 3 7 - o o 4 26 o o o 5 26 o + o 5 14 + + o 6 29 o o + 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 12 21 o o o 13 22 o o o 14 26 - o o 15 24 o o o 16 25 o o o 27 30 o o o 28 31 o o o 