data_CdNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.13
_cell_angle_alpha   97.15
_cell_angle_beta   97.15
_cell_angle_gamma   34.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Os
_chemical_formula_sum   'Cd1 Ni2 Os1'
_cell_volume   57.68
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.61  0.0  0.59  1.0
  Ni  Ni2  1  0.21  0.0  0.49  1.0
  Os  Os3  1  0.91  0.0  0.54  1.0

data_CdNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.45
_cell_length_c   5.13
_cell_angle_alpha   97.15
_cell_angle_beta   90.0
_cell_angle_gamma   107.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Os
_chemical_formula_sum   'Cd1 Ni2 Os1'
_cell_volume   57.68
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.39  0.41  1.0
  Ni  Ni2  1  0.0  0.79  0.51  1.0
  Os  Os3  1  0.0  0.09  0.46  1.0

Cd Ni Ni Os