data_CuBiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiOs
_chemical_formula_sum   'Cu1 Bi1 Os1'
_cell_volume   53.99
_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  Cu1  1  0.0  0.0  0.08  1.0
  Bi  Bi0  1  0.21  0.27  0.17  1.0
  Os  Os2  1  0.0  0.55  0.15  1.0

data_CuBiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiOs
_chemical_formula_sum   'Cu1 Bi1 Os1'
_cell_volume   53.99
_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  0.08  0.0  0.0  1.0
  Bi  Bi1  1  0.17  0.21  0.27  1.0
  Os  Os2  1  0.15  0.0  0.55  1.0

Cu Bi Os
Cu Bi Os 0 1 o o o 0 2 o - o 1 2 o o o 