data_SrGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.45
_cell_angle_alpha   107.23
_cell_angle_beta   107.23
_cell_angle_gamma   40.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGe2Bi
_chemical_formula_sum   'Sr1 Ge2 Bi1'
_cell_volume   110.51
_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  Sr3  1  0.61  0.0  0.7  1.0
  Ge  Ge1  1  0.75  0.0  0.13  1.0
  Ge  Ge2  1  0.61  0.0  0.2  1.0
  Bi  Bi0  1  0.65  0.0  0.89  1.0

data_SrGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.45
_cell_length_c   5.74
_cell_angle_alpha   107.23
_cell_angle_beta   110.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGe2Bi
_chemical_formula_sum   'Sr1 Ge2 Bi1'
_cell_volume   110.51
_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  Sr0  1  0.0  0.7  0.61  1.0
  Ge  Ge1  1  0.0  0.13  0.75  1.0
  Ge  Ge2  1  0.0  0.2  0.61  1.0
  Bi  Bi3  1  0.0  0.89  0.65  1.0

Sr Ge Ge Bi
Sr Ge Ge Bi 0 3 o o o 1 2 o o o 