data_NiTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   143.44
_cell_angle_beta   129.27
_cell_angle_gamma   64.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeOs2
_chemical_formula_sum   'Ni1 Te1 Os2'
_cell_volume   61.4
_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  0.41  1.0
  Te  Te3  1  0.0  0.2  0.1  1.0
  Os  Os1  1  0.0  0.2  0.24  1.0
  Os  Os2  1  0.0  0.0  0.28  1.0

data_NiTeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.39
_cell_length_c   5.13
_cell_angle_alpha   115.37
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeOs2
_chemical_formula_sum   'Ni1 Te1 Os2'
_cell_volume   61.4
_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  0.41  0.41  1.0
  Te  Te1  1  0.8  0.91  0.91  1.0
  Os  Os2  1  0.0  0.28  0.28  1.0
  Os  Os3  1  0.8  0.04  0.04  1.0

Ni Te Os Os
Ni Te Os Os 0 3 o o o 1 2 o o o 