data_SrGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   143.04
_cell_angle_beta   143.04
_cell_angle_gamma   53.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGeBi
_chemical_formula_sum   'Sr1 Ge1 Bi1'
_cell_volume   92.02
_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
  Sr  Sr2  1  0.0  0.0  0.79  1.0
  Ge  Ge1  1  0.0  0.0  0.18  1.0
  Bi  Bi0  1  0.0  0.0  0.38  1.0

data_SrGeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   116.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGeBi
_chemical_formula_sum   'Sr2 Ge2 Bi2'
_cell_volume   184.03
_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
  Sr  Sr0  2  0.29  0.5  0.79  1.0
  Ge  Ge1  2  0.18  0.0  0.18  1.0
  Bi  Bi2  2  0.38  0.0  0.38  1.0

Sr Ge Bi
Sr Ge Bi 0 2 o o o 0 1 o o + 1 2 o o o 