data_YGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   3.45
_cell_angle_alpha   102.11
_cell_angle_beta   102.11
_cell_angle_gamma   114.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Bi
_chemical_formula_sum   'Y1 Ge2 Bi1'
_cell_volume   99.37
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.91  0.53  0.59  1.0
  Ge  Ge2  1  0.91  0.47  0.59  1.0
  Bi  Bi0  1  0.16  0.0  0.0  1.0

data_YGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   114.77
_cell_angle_beta   102.11
_cell_angle_gamma   102.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Bi
_chemical_formula_sum   'Y1 Ge2 Bi1'
_cell_volume   99.37
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.59  0.91  0.47  1.0
  Ge  Ge2  1  0.59  0.91  0.53  1.0
  Bi  Bi3  1  0.0  0.16  0.0  1.0

Y Ge Ge Bi