data_NiSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.64
_cell_angle_beta   131.64
_cell_angle_gamma   70.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbOs2
_chemical_formula_sum   'Ni1 Sb1 Os2'
_cell_volume   59.03
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.95  0.94  1.0
  Os  Os1  1  0.95  0.0  0.94  1.0
  Os  Os2  1  0.0  0.0  0.88  1.0

data_NiSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.76
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbOs2
_chemical_formula_sum   'Ni1 Sb1 Os2'
_cell_volume   59.03
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.99  0.94  0.99  1.0
  Os  Os2  1  0.88  0.88  0.88  1.0
  Os  Os3  1  0.94  0.99  0.99  1.0

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