data_NiGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.51
_cell_angle_alpha   97.67
_cell_angle_beta   97.67
_cell_angle_gamma   101.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGeSb2
_chemical_formula_sum   'Ni1 Ge1 Sb2'
_cell_volume   82.73
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.15  0.0  0.0  1.0
  Sb  Sb2  1  0.21  0.09  0.72  1.0
  Sb  Sb3  1  0.21  0.91  0.72  1.0

data_NiGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   101.0
_cell_angle_beta   97.67
_cell_angle_gamma   97.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGeSb2
_chemical_formula_sum   'Ni1 Ge1 Sb2'
_cell_volume   82.73
_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  0.0  1.0
  Ge  Ge1  1  0.0  0.15  0.0  1.0
  Sb  Sb2  1  0.72  0.21  0.09  1.0
  Sb  Sb3  1  0.72  0.21  0.91  1.0

Ni Ge Sb Sb