data_YGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.11
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   103.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Sb
_chemical_formula_sum   'Y1 Ge2 Sb1'
_cell_volume   95.11
_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  0.1  0.0  0.38  1.0
  Ge  Ge0  1  0.95  0.05  0.79  1.0
  Ge  Ge1  1  0.34  0.0  0.34  1.0
  Sb  Sb2  1  0.15  0.05  0.02  1.0

data_YGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.11
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   103.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2Sb
_chemical_formula_sum   'Y1 Ge2 Sb1'
_cell_volume   95.11
_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  0.1  0.0  0.38  1.0
  Ge  Ge1  1  0.34  0.0  0.34  1.0
  Ge  Ge2  1  0.95  0.05  0.79  1.0
  Sb  Sb3  1  0.15  0.05  0.02  1.0

Y Ge Ge Sb