data_CdCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.28
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Os
_chemical_formula_sum   'Cd1 Cu2 Os1'
_cell_volume   58.86
_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  0.54  0.14  0.0  1.0
  Cu  Cu1  1  0.54  0.0  0.22  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.14  0.22  1.0

data_CdCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.28
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Os
_chemical_formula_sum   'Cd1 Cu2 Os1'
_cell_volume   58.86
_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  0.54  0.14  -0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.54  0.0  0.22  1.0
  Os  Os3  1  0.0  0.14  0.22  1.0

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