data_CuSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Os
_chemical_formula_sum   'Cu1 Sn2 Os1'
_cell_volume   75.66
_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
  Sn  Sn2  1  0.73  0.0  0.32  1.0
  Sn  Sn3  1  0.73  0.0  0.14  1.0
  Os  Os1  1  0.0  0.0  0.23  1.0

data_CuSn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Os
_chemical_formula_sum   'Cu1 Sn2 Os1'
_cell_volume   75.66
_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
  Sn  Sn1  1  0.73  0.0  0.14  1.0
  Sn  Sn2  1  0.73  0.0  0.32  1.0
  Os  Os3  1  0.0  0.0  0.23  1.0

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