data_HfOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   17.41
_cell_angle_beta   17.41
_cell_angle_gamma   17.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfOsRh2
_chemical_formula_sum   'Hf1 Os1 Rh2'
_cell_volume   62.64
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.72  1.0
  Rh  Rh2  1  0.0  0.0  0.76  1.0
  Rh  Rh3  1  0.0  0.0  0.68  1.0

data_HfOsRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfOsRh2
_chemical_formula_sum   'Hf2 Os2 Rh4'
_cell_volume   125.27
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.28  1.0
  Rh  Rh2  2  0.0  0.0  0.24  1.0
  Rh  Rh3  2  0.0  0.0  0.32  1.0

Hf Os Rh Rh
Hf Os Rh Rh 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 2 o o - 0 1 o o - 1 3 o o o 1 2 o o o 