data_Re2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2NiOs
_chemical_formula_sum   'Re2 Ni1 Os1'
_cell_volume   57.29
_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
  Re  Re2  1  0.0  0.0  0.01  1.0
  Re  Re3  1  0.52  0.0  0.38  1.0
  Ni  Ni0  1  0.0  0.0  0.32  1.0
  Os  Os1  1  0.52  0.0  0.21  1.0

data_Re2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2NiOs
_chemical_formula_sum   'Re2 Ni1 Os1'
_cell_volume   57.29
_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
  Re  Re0  1  0.0  0.0  0.01  1.0
  Re  Re1  1  0.52  0.0  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.32  1.0
  Os  Os3  1  0.52  0.0  0.21  1.0

Re Re Ni Os