data_BaYGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   148.96
_cell_angle_beta   145.94
_cell_angle_gamma   46.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYGe
_chemical_formula_sum   'Ba1 Y1 Ge1'
_cell_volume   101.08
_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
  Ba  Ba0  1  0.0  0.0  0.71  1.0
  Y  Y2  1  0.0  0.0  0.35  1.0
  Ge  Ge1  1  0.0  0.0  0.85  1.0

data_BaYGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.13
_cell_length_c   7.06
_cell_angle_alpha   107.03
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYGe
_chemical_formula_sum   'Ba1 Y1 Ge1'
_cell_volume   101.08
_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
  Ba  Ba0  1  0.29  0.29  0.29  1.0
  Y  Y1  1  0.65  0.65  0.65  1.0
  Ge  Ge2  1  0.15  0.15  0.15  1.0

Ba Y Ge
Ba Y Ge 0 2 o o o 0 1 o o o 