data_Cd2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.13
_cell_angle_alpha   99.18
_cell_angle_beta   99.18
_cell_angle_gamma   32.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuOs
_chemical_formula_sum   'Cd2 Cu1 Os1'
_cell_volume   66.73
_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  0.92  0.0  0.25  1.0
  Cd  Cd1  1  0.77  0.0  0.81  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.34  0.0  0.53  1.0

data_Cd2CuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.96
_cell_length_c   5.13
_cell_angle_alpha   99.18
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuOs
_chemical_formula_sum   'Cd2 Cu1 Os1'
_cell_volume   66.73
_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  0.08  0.75  1.0
  Cd  Cd1  1  0.0  0.23  0.19  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.66  0.47  1.0

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