data_SrNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   139.38
_cell_angle_beta   139.38
_cell_angle_gamma   58.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiOs2
_chemical_formula_sum   'Sr1 Ni1 Os2'
_cell_volume   69.7
_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  0.79  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.91  0.0  0.39  1.0
  Os  Os2  1  0.0  0.91  0.39  1.0

data_SrNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   119.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNiOs2
_chemical_formula_sum   'Sr2 Ni2 Os4'
_cell_volume   139.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.29  0.5  0.79  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Os  Os2  4  0.44  0.05  0.49  1.0

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