data_SiNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   150.12
_cell_angle_beta   134.93
_cell_angle_gamma   55.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiOs2
_chemical_formula_sum   'Si1 Ni1 Os2'
_cell_volume   54.75
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.78  1.0
  Os  Os1  1  0.39  0.0  0.96  1.0
  Os  Os2  1  0.0  0.06  0.81  1.0

data_SiNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.13
_cell_length_c   5.39
_cell_angle_alpha   112.53
_cell_angle_beta   104.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiOs2
_chemical_formula_sum   'Si1 Ni1 Os2'
_cell_volume   54.75
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.22  0.22  0.22  1.0
  Os  Os2  1  0.19  0.25  0.25  1.0
  Os  Os3  1  0.43  0.04  0.43  1.0

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