data_Ni3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Os
_chemical_formula_sum   'Ni6 Os2'
_cell_volume   94.05
_cell_formula_units_Z   2
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  0.48  0.12  1.0
  Ni  Ni1  1  0.55  0.94  0.04  1.0
  Ni  Ni2  1  0.27  0.68  0.12  1.0
  Ni  Ni3  1  0.28  0.74  0.04  1.0
  Ni  Ni4  1  0.73  0.68  0.12  1.0
  Ni  Ni5  1  0.82  0.74  0.04  1.0
  Os  Os6  1  0.55  0.47  0.12  1.0
  Os  Os7  1  0.0  0.95  0.04  1.0

data_Ni3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.16
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ni3Os
_chemical_formula_sum   'Ni6 Os2'
_cell_volume   94.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.45  0.47  1.0
  Ni  Ni1  2  0.04  0.72  0.27  1.0
  Ni  Ni2  2  0.04  0.99  0.47  1.0
  Os  Os3  2  0.04  0.28  0.26  1.0

Ni Ni Ni Ni Ni Ni Os Os