data_NiGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Os
_chemical_formula_sum   'Ni1 Ge2 Os1'
_cell_volume   55.63
_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  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.45  0.42  0.51  1.0
  Ge  Ge1  1  0.45  0.58  0.51  1.0
  Os  Os3  1  0.9  0.0  0.0  1.0

data_NiGe2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.29
_cell_length_b   3.03
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiGe2Os
_chemical_formula_sum   'Ni1 Ge2 Os1'
_cell_volume   55.63
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.45  0.5  0.42  1.0
  Ge  Ge2  1  0.45  0.5  0.58  1.0
  Os  Os3  1  0.9  0.0  0.0  1.0

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