data_SiNiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.24
_cell_length_c   3.11
_cell_angle_alpha   77.71
_cell_angle_beta   73.72
_cell_angle_gamma   28.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiBi
_chemical_formula_sum   'Si1 Ni1 Bi1'
_cell_volume   56.32
_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
  Si  Si2  1  0.03  0.35  0.38  1.0
  Ni  Ni1  1  0.03  0.35  0.21  1.0
  Bi  Bi0  1  0.03  0.35  0.2  1.0

data_SiNiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   11.79
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   130.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiNiBi
_chemical_formula_sum   'Si2 Ni2 Bi2'
_cell_volume   112.64
_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
  Si  Si0  2  0.23  0.0  0.59  1.0
  Ni  Ni1  2  0.41  0.0  0.76  1.0
  Bi  Bi2  2  0.42  0.0  0.77  1.0

Si Ni Bi
Si Ni Bi 0 2 o o o 0 1 o o o 1 2 o o o 