data_YGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   137.85
_cell_angle_beta   137.85
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeBi2
_chemical_formula_sum   'Y1 Ge1 Bi2'
_cell_volume   109.11
_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  0.25  0.0  0.69  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.39  1.0
  Bi  Bi1  1  0.0  0.25  0.69  1.0

data_YGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.26
_cell_angle_alpha   111.08
_cell_angle_beta   111.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeBi2
_chemical_formula_sum   'Y1 Ge1 Bi2'
_cell_volume   109.11
_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  0.69  0.44  0.44  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.39  0.39  0.39  1.0
  Bi  Bi3  1  0.44  0.69  0.44  1.0

Y Ge Bi Bi
Y Ge Bi Bi 0 2 o o o 1 2 o o o 2 3 o o o 