data_ReNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.52
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Os
_chemical_formula_sum   'Re1 Ni2 Os1'
_cell_volume   51.4
_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  Re3  1  0.33  0.0  0.12  1.0
  Ni  Ni0  1  0.96  0.0  0.4  1.0
  Ni  Ni1  1  0.59  0.0  0.39  1.0
  Os  Os2  1  0.01  0.0  0.22  1.0

data_ReNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.52
_cell_length_c   4.56
_cell_angle_alpha   99.49
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Os
_chemical_formula_sum   'Re1 Ni2 Os1'
_cell_volume   51.4
_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  0.12  0.33  1.0
  Ni  Ni1  1  0.0  0.39  0.59  1.0
  Ni  Ni2  1  0.0  0.4  0.96  1.0
  Os  Os3  1  0.0  0.22  0.01  1.0

Re Ni Ni Os