data_SrNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   135.62
_cell_angle_beta   135.62
_cell_angle_gamma   64.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Os
_chemical_formula_sum   'Sr1 Ni2 Os1'
_cell_volume   67.82
_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
  Sr  Sr3  1  0.0  0.0  0.4  1.0
  Ni  Ni0  1  0.0  0.96  0.2  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.96  0.0  0.2  1.0

data_SrNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.2
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Os
_chemical_formula_sum   'Sr1 Ni2 Os1'
_cell_volume   67.82
_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
  Sr  Sr0  1  0.6  0.0  0.6  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.77  0.96  0.77  1.0
  Os  Os3  1  0.8  0.0  0.77  1.0

Sr Ni Ni Os
Sr Ni Ni Os 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 