data_CuGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.88
_cell_angle_alpha   102.32
_cell_angle_beta   102.32
_cell_angle_gamma   36.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeOs2
_chemical_formula_sum   'Cu1 Ge1 Os2'
_cell_volume   56.39
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.68  0.0  0.38  1.0
  Os  Os2  1  0.16  0.0  0.13  1.0
  Os  Os3  1  0.2  0.0  0.62  1.0

data_CuGeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.46
_cell_length_c   4.88
_cell_angle_alpha   102.32
_cell_angle_beta   90.0
_cell_angle_gamma   108.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeOs2
_chemical_formula_sum   'Cu1 Ge1 Os2'
_cell_volume   56.39
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.32  0.62  1.0
  Os  Os2  1  0.0  0.8  0.38  1.0
  Os  Os3  1  0.0  0.84  0.87  1.0

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