data_NiGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   149.48
_cell_angle_beta   131.99
_cell_angle_gamma   57.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Bi
_chemical_formula_sum   'Ni1 Ge2 Bi1'
_cell_volume   81.31
_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  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.44  0.21  1.0
  Ge  Ge2  1  0.58  0.0  0.05  1.0
  Bi  Bi0  1  0.0  0.0  0.26  1.0

data_NiGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.89
_cell_length_c   6.01
_cell_angle_alpha   114.01
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Bi
_chemical_formula_sum   'Ni1 Ge2 Bi1'
_cell_volume   81.31
_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  0.05  0.47  1.0
  Ge  Ge2  1  0.56  0.76  0.76  1.0
  Bi  Bi3  1  0.0  0.26  0.26  1.0

Ni Ge Ge Bi