data_CrSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   149.57
_cell_angle_beta   141.81
_cell_angle_gamma   49.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   53.58
_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  0.78  1.0
  Si  Si2  1  0.0  0.0  0.36  1.0
  Si  Si3  1  0.46  0.0  0.88  1.0
  Os  Os1  1  0.0  0.82  0.07  1.0

data_CrSi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.64
_cell_length_c   5.56
_cell_angle_alpha   109.1
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   53.58
_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  0.78  0.78  1.0
  Si  Si1  1  0.0  0.36  0.36  1.0
  Si  Si2  1  0.0  0.88  0.43  1.0
  Os  Os3  1  0.18  0.25  0.25  1.0

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