data_CrSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   2.78
_cell_angle_alpha   105.7
_cell_angle_beta   105.7
_cell_angle_gamma   108.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   52.71
_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
  Si  Si2  1  0.75  0.07  0.23  1.0
  Si  Si3  1  0.75  0.93  0.23  1.0
  Os  Os1  1  0.78  0.0  0.0  1.0

data_CrSi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   108.41
_cell_angle_beta   105.7
_cell_angle_gamma   105.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   52.71
_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
  Si  Si1  1  0.23  0.75  0.07  1.0
  Si  Si2  1  0.23  0.75  0.93  1.0
  Os  Os3  1  0.0  0.78  0.0  1.0

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