data_CoGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGeBi2
_chemical_formula_sum   'Co1 Ge1 Bi2'
_cell_volume   88.48
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.95  0.0  0.04  1.0
  Bi  Bi0  1  0.54  0.65  0.43  1.0
  Bi  Bi1  1  0.67  0.65  0.65  1.0

data_CoGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.08
_cell_angle_alpha   90.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGeBi2
_chemical_formula_sum   'Co1 Ge1 Bi2'
_cell_volume   88.48
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.05  0.96  1.0
  Bi  Bi2  1  0.35  0.33  0.35  1.0
  Bi  Bi3  1  0.35  0.46  0.57  1.0

Co Ge Bi Bi
Co Ge Bi Bi 0 1 - o o 2 3 o o o 