data_YBe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   140.31
_cell_angle_beta   140.11
_cell_angle_gamma   57.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Ge
_chemical_formula_sum   'Y1 Be2 Ge1'
_cell_volume   67.16
_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  0.87  0.09  1.0
  Be  Be0  1  0.0  0.0  0.17  1.0
  Be  Be1  1  0.86  0.0  0.36  1.0
  Ge  Ge2  1  0.0  0.0  0.63  1.0

data_YBe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.75
_cell_length_c   5.49
_cell_angle_alpha   109.95
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Ge
_chemical_formula_sum   'Y1 Be2 Ge1'
_cell_volume   67.16
_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  0.13  0.22  0.22  1.0
  Be  Be1  1  0.0  0.17  0.17  1.0
  Be  Be2  1  0.0  0.36  0.5  1.0
  Ge  Ge3  1  0.0  0.63  0.63  1.0

Y Be Be Ge
Y Be Be Ge 0 1 o + o 2 3 + o o 