data_Cd2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.1
_cell_angle_alpha   101.36
_cell_angle_beta   101.36
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeOs
_chemical_formula_sum   'Cd2 Fe1 Os1'
_cell_volume   67.26
_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  0.06  0.0  0.03  1.0
  Cd  Cd1  1  0.52  0.0  0.74  1.0
  Fe  Fe2  1  0.16  0.0  0.35  1.0
  Os  Os3  1  0.03  0.0  0.38  1.0

data_Cd2FeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.98
_cell_length_c   5.1
_cell_angle_alpha   101.36
_cell_angle_beta   90.0
_cell_angle_gamma   106.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeOs
_chemical_formula_sum   'Cd2 Fe1 Os1'
_cell_volume   67.26
_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  0.48  0.26  1.0
  Cd  Cd1  1  0.0  0.94  0.97  1.0
  Fe  Fe2  1  0.0  0.84  0.65  1.0
  Os  Os3  1  0.0  0.97  0.62  1.0

Cd Cd Fe Os
Cd Cd Fe Os 0 3 o o o 0 2 o o o 0 1 o o - 0 1 - o - 1 3 o o o 1 2 o o o 1 1 + - o 2 3 o o o 