data_YGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeBi2
_chemical_formula_sum   'Y1 Ge1 Bi2'
_cell_volume   109.88
_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
  Y  Y3  1  0.28  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.64  0.95  0.05  1.0
  Bi  Bi1  1  0.64  0.05  0.05  1.0

data_YGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   102.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeBi2
_chemical_formula_sum   'Y1 Ge1 Bi2'
_cell_volume   109.88
_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
  Y  Y0  1  0.0  0.28  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.05  0.64  0.05  1.0
  Bi  Bi3  1  0.05  0.64  0.95  1.0

Y Ge Bi Bi