data_ZnNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   133.22
_cell_angle_beta   133.22
_cell_angle_gamma   68.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiOs2
_chemical_formula_sum   'Zn1 Ni1 Os2'
_cell_volume   53.9
_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
  Zn  Zn3  1  0.0  0.0  0.88  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.86  0.0  0.94  1.0
  Os  Os2  1  0.0  0.86  0.94  1.0

data_ZnNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   124.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnNiOs2
_chemical_formula_sum   'Zn2 Ni2 Os4'
_cell_volume   107.79
_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
  Zn  Zn0  2  0.0  0.0  0.88  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Os  Os2  4  0.07  0.07  0.08  1.0

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