data_CdNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.97
_cell_angle_alpha   98.57
_cell_angle_beta   98.57
_cell_angle_gamma   34.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiOs2
_chemical_formula_sum   'Cd1 Ni1 Os2'
_cell_volume   60.19
_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
  Cd  Cd0  1  0.08  0.0  0.33  1.0
  Ni  Ni1  1  0.44  0.0  0.2  1.0
  Os  Os2  1  0.26  0.0  0.79  1.0
  Os  Os3  1  0.67  0.0  0.94  1.0

data_CdNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.67
_cell_length_c   4.97
_cell_angle_alpha   98.57
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiOs2
_chemical_formula_sum   'Cd1 Ni1 Os2'
_cell_volume   60.19
_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
  Cd  Cd0  1  0.0  0.92  0.67  1.0
  Ni  Ni1  1  0.0  0.56  0.8  1.0
  Os  Os2  1  0.0  0.33  0.06  1.0
  Os  Os3  1  0.0  0.74  0.21  1.0

Cd Ni Os Os