data_CuOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOs3
_chemical_formula_sum   'Cu4 Os12'
_cell_volume   222.5
_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  0.39  1.0
  Cu  Cu2  1  0.0  0.12  0.19  1.0
  Cu  Cu3  1  0.7  0.56  0.58  1.0
  Os  Os4  1  0.7  0.0  0.0  1.0
  Os  Os5  1  0.7  0.0  0.39  1.0
  Os  Os6  1  0.65  0.34  0.0  1.0
  Os  Os7  1  0.35  0.34  0.0  1.0
  Os  Os8  1  0.35  0.34  0.39  1.0
  Os  Os9  1  0.65  0.34  0.39  1.0
  Os  Os10  1  0.7  0.17  0.19  1.0
  Os  Os11  1  0.0  0.52  0.58  1.0
  Os  Os12  1  0.31  0.76  0.19  1.0
  Os  Os13  1  0.1  0.76  0.19  1.0
  Os  Os14  1  0.61  0.93  0.58  1.0
  Os  Os15  1  0.39  0.93  0.58  1.0

data_CuOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOs3
_chemical_formula_sum   'Cu4 Os12'
_cell_volume   222.5
_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  0.12  0.19  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.39  1.0
  Cu  Cu3  1  0.7  0.56  0.58  1.0
  Os  Os4  1  -0.0  0.52  0.58  1.0
  Os  Os5  1  0.1  0.76  0.19  1.0
  Os  Os6  1  0.31  0.76  0.19  1.0
  Os  Os7  1  0.35  0.34  -0.0  1.0
  Os  Os8  1  0.35  0.34  0.39  1.0
  Os  Os9  1  0.39  0.93  0.58  1.0
  Os  Os10  1  0.61  0.93  0.58  1.0
  Os  Os11  1  0.65  0.34  -0.0  1.0
  Os  Os12  1  0.65  0.34  0.39  1.0
  Os  Os13  1  0.7  0.0  -0.0  1.0
  Os  Os14  1  0.7  0.0  0.39  1.0
  Os  Os15  1  0.7  0.17  0.19  1.0

Cu Cu Cu Cu Os Os Os Os Os Os Os Os Os Os Os Os
Cu Cu Cu Cu Os Os Os Os Os Os Os Os Os Os Os Os 0 2 o o o 0 4 - o o 0 7 o o o 1 2 o o o 1 5 - o o 1 8 o o o 2 10 - o o 3 9 o o o 3 11 + o o 4 10 o o o 5 14 o - o 5 10 o o o 5 9 o o o 6 7 o o o 6 10 o o o 8 9 o o o 9 10 o o o 10 12 o - o 12 13 o o o 14 15 o o o 