data_CrSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.76
_cell_angle_alpha   100.89
_cell_angle_beta   100.89
_cell_angle_gamma   38.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   51.46
_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  0.27  0.0  0.54  1.0
  Si  Si3  1  0.76  0.0  0.12  1.0
  Os  Os1  1  0.51  0.0  0.33  1.0

data_CrSi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.22
_cell_length_c   4.76
_cell_angle_alpha   100.89
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Os
_chemical_formula_sum   'Cr1 Si2 Os1'
_cell_volume   51.46
_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  0.0  0.24  0.88  1.0
  Si  Si2  1  0.0  0.73  0.46  1.0
  Os  Os3  1  0.0  0.49  0.67  1.0

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