data_CrCdOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.8
_cell_angle_alpha   103.83
_cell_angle_beta   103.83
_cell_angle_gamma   32.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdOs2
_chemical_formula_sum   'Cr1 Cd1 Os2'
_cell_volume   60.45
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.09  0.0  0.32  1.0
  Os  Os2  1  0.54  0.0  0.99  1.0
  Os  Os3  1  0.64  0.0  0.66  1.0

data_CrCdOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.8
_cell_length_c   4.89
_cell_angle_alpha   103.83
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdOs2
_chemical_formula_sum   'Cr1 Cd1 Os2'
_cell_volume   60.45
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.32  0.09  1.0
  Os  Os2  1  0.0  0.66  0.64  1.0
  Os  Os3  1  0.0  0.99  0.54  1.0

Cr Cd Os Os
Cr Cd Os Os 0 1 o o o 0 3 - o - 2 3 o o o 