data_CaOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.75
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca1 Os1 Rh2'
_cell_volume   68.43
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.22  1.0
  Rh  Rh2  1  0.41  0.88  0.52  1.0
  Rh  Rh3  1  0.41  0.88  0.92  1.0

data_CaOsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.75
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca1 Os1 Rh2'
_cell_volume   68.43
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.22  1.0
  Rh  Rh2  1  0.41  0.88  0.52  1.0
  Rh  Rh3  1  0.41  0.88  0.92  1.0

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