data_NbOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsRh2
_chemical_formula_sum   'Nb1 Os1 Rh2'
_cell_volume   61.55
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.76  1.0
  Rh  Rh2  1  0.67  0.67  0.11  1.0
  Rh  Rh3  1  0.67  0.67  0.4  1.0

data_NbOsRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbOsRh2
_chemical_formula_sum   'Nb2 Os2 Rh4'
_cell_volume   123.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.76  1.0
  Rh  Rh2  2  0.17  0.5  0.11  1.0
  Rh  Rh3  2  0.17  0.5  0.4  1.0

Nb Os Rh Rh
Nb Os Rh Rh 0 1 o o - 0 2 - - o 2 3 o o o 