data_Cu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Os
_chemical_formula_sum   'Cu8 Os4'
_cell_volume   148.69
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.89  1.0
  Cu  Cu2  1  0.0  0.38  0.83  1.0
  Cu  Cu3  1  0.85  0.38  0.83  1.0
  Cu  Cu4  1  0.2  0.69  0.94  1.0
  Cu  Cu5  1  0.15  0.38  0.83  1.0
  Cu  Cu6  1  0.5  0.69  0.94  1.0
  Cu  Cu7  1  0.35  0.68  0.94  1.0
  Os  Os8  1  0.0  0.71  0.42  1.0
  Os  Os9  1  0.0  0.71  0.47  1.0
  Os  Os10  1  0.35  0.36  0.31  1.0
  Os  Os11  1  0.35  0.36  0.36  1.0

data_Cu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Os
_chemical_formula_sum   'Cu8 Os4'
_cell_volume   148.69
_cell_formula_units_Z   4
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
  Cu  Cu0  1  -0.0  0.38  0.83  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.89  1.0
  Cu  Cu3  1  0.15  0.38  0.83  1.0
  Cu  Cu4  1  0.2  0.69  0.94  1.0
  Cu  Cu5  1  0.35  0.68  0.94  1.0
  Cu  Cu6  1  0.5  0.69  0.94  1.0
  Cu  Cu7  1  0.85  0.38  0.83  1.0
  Os  Os8  1  -0.0  0.71  0.42  1.0
  Os  Os9  1  -0.0  0.71  0.47  1.0
  Os  Os10  1  0.35  0.36  0.31  1.0
  Os  Os11  1  0.35  0.36  0.36  1.0

Cu Cu Cu Cu Cu Cu Cu Cu Os Os Os Os