data_Cr2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   126.53
_cell_angle_beta   126.53
_cell_angle_gamma   79.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiBi
_chemical_formula_sum   'Cr2 Si1 Bi1'
_cell_volume   66.67
_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
  Cr  Cr1  1  0.0  0.13  0.83  1.0
  Cr  Cr2  1  0.13  0.0  0.83  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.66  1.0

data_Cr2SiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   129.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2SiBi
_chemical_formula_sum   'Cr4 Si2 Bi2'
_cell_volume   133.33
_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
  Cr  Cr0  4  0.24  0.07  0.3  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.34  0.0  0.34  1.0

Cr Cr Si Bi
Cr Cr Si Bi 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 