data_Ni2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   137.18
_cell_angle_beta   137.18
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BOs
_chemical_formula_sum   'Ni2 B1 Os1'
_cell_volume   42.69
_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  Ni1  1  0.66  0.0  0.94  1.0
  Ni  Ni2  1  0.0  0.66  0.94  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.89  1.0

data_Ni2BOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   121.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2BOs
_chemical_formula_sum   'Ni4 B2 Os2'
_cell_volume   85.38
_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
  Ni  Ni0  4  0.17  0.17  0.29  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.89  1.0

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