data_CrSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Os
_chemical_formula_sum   'Cr1 Sn2 Os1'
_cell_volume   71.49
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.59  0.0  0.42  1.0
  Sn  Sn3  1  0.59  0.0  0.09  1.0
  Os  Os1  1  0.0  0.0  0.25  1.0

data_CrSn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Os
_chemical_formula_sum   'Cr1 Sn2 Os1'
_cell_volume   71.49
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.59  0.0  0.09  1.0
  Sn  Sn2  1  0.59  0.0  0.42  1.0
  Os  Os3  1  0.0  0.0  0.25  1.0

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