data_NiSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.05
_cell_angle_alpha   98.7
_cell_angle_beta   98.7
_cell_angle_gamma   39.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Os
_chemical_formula_sum   'Ni1 Sb2 Os1'
_cell_volume   74.83
_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  0.22  0.0  0.71  1.0
  Sb  Sb2  1  0.0  0.0  0.39  1.0
  Sb  Sb3  1  0.7  0.0  0.25  1.0
  Os  Os1  1  0.55  0.0  0.11  1.0

data_NiSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.85
_cell_length_c   5.05
_cell_angle_alpha   98.7
_cell_angle_beta   90.0
_cell_angle_gamma   109.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Os
_chemical_formula_sum   'Ni1 Sb2 Os1'
_cell_volume   74.83
_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  0.78  0.29  1.0
  Sb  Sb1  1  0.0  0.3  0.75  1.0
  Sb  Sb2  1  0.0  1.0  0.61  1.0
  Os  Os3  1  0.0  0.45  0.89  1.0

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