data_CaGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   137.61
_cell_angle_beta   137.61
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeBi2
_chemical_formula_sum   'Ca1 Ge1 Bi2'
_cell_volume   112.36
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.28  0.0  0.71  1.0
  Bi  Bi0  1  0.0  0.0  0.41  1.0
  Bi  Bi1  1  0.0  0.28  0.71  1.0

data_CaGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.3
_cell_angle_alpha   111.2
_cell_angle_beta   111.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeBi2
_chemical_formula_sum   'Ca1 Ge1 Bi2'
_cell_volume   112.36
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.71  0.43  0.43  1.0
  Bi  Bi2  1  0.41  0.41  0.41  1.0
  Bi  Bi3  1  0.43  0.71  0.43  1.0

Ca Ge Bi Bi