data_NiSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   128.7
_cell_angle_beta   128.7
_cell_angle_gamma   75.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnBi2
_chemical_formula_sum   'Ni1 Sn1 Bi2'
_cell_volume   100.13
_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
  Sn  Sn3  1  0.0  0.0  0.37  1.0
  Bi  Bi0  1  0.0  0.39  0.19  1.0
  Bi  Bi1  1  0.39  0.0  0.19  1.0

data_NiSnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   127.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSnBi2
_chemical_formula_sum   'Ni2 Sn2 Bi4'
_cell_volume   200.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.13  0.5  0.63  1.0
  Bi  Bi2  4  0.01  0.2  0.21  1.0

Ni Sn Bi Bi
Ni Sn Bi Bi 0 2 o o o 0 3 o o o 0 1 o o o 