data_CaOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   128.4
_cell_angle_beta   128.4
_cell_angle_gamma   75.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca1 Os1 Rh2'
_cell_volume   65.81
_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  0.78  1.0
  Rh  Rh2  1  0.0  0.09  0.89  1.0
  Rh  Rh3  1  0.09  0.0  0.89  1.0

data_CaOsRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   127.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaOsRh2
_chemical_formula_sum   'Ca2 Os2 Rh4'
_cell_volume   131.62
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.22  0.0  0.22  1.0
  Rh  Rh2  4  0.15  0.04  0.2  1.0

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