data_SiNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Bi
_chemical_formula_sum   'Si1 Ni2 Bi1'
_cell_volume   66.45
_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  Si3  1  0.0  0.0  0.22  1.0
  Ni  Ni1  1  0.0  0.0  0.55  1.0
  Ni  Ni2  1  0.11  0.0  0.13  1.0
  Bi  Bi0  1  0.11  0.0  0.38  1.0

data_SiNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Bi
_chemical_formula_sum   'Si1 Ni2 Bi1'
_cell_volume   66.45
_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  Si0  1  0.0  0.0  0.22  1.0
  Ni  Ni1  1  0.0  0.0  0.55  1.0
  Ni  Ni2  1  0.11  0.0  0.13  1.0
  Bi  Bi3  1  0.11  0.0  0.38  1.0

Si Ni Ni Bi
Si Ni Ni Bi 0 2 o o o 0 3 o o o 1 3 o o o 