data_CaOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.8
_cell_angle_alpha   106.12
_cell_angle_beta   106.12
_cell_angle_gamma   31.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca1 Os1 Rh2'
_cell_volume   65.13
_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  0.36  0.0  0.54  1.0
  Os  Os1  1  0.09  0.0  0.8  1.0
  Rh  Rh2  1  0.97  0.0  0.27  1.0
  Rh  Rh3  1  0.73  0.0  0.29  1.0

data_CaOsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.8
_cell_length_c   5.24
_cell_angle_alpha   106.12
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca1 Os1 Rh2'
_cell_volume   65.13
_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  0.54  0.36  1.0
  Os  Os1  1  0.0  0.8  0.09  1.0
  Rh  Rh2  1  0.0  0.27  0.97  1.0
  Rh  Rh3  1  0.0  0.29  0.73  1.0

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