data_BaY2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31
_cell_length_b   10.31
_cell_length_c   10.31
_cell_angle_alpha   23.33
_cell_angle_beta   23.33
_cell_angle_gamma   23.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Ge
_chemical_formula_sum   'Ba1 Y2 Ge1'
_cell_volume   150.99
_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  0.04  1.0
  Y  Y2  1  0.0  0.0  0.6  1.0
  Y  Y3  1  0.0  0.0  0.48  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_BaY2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.22
_cell_length_b   4.17
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaY2Ge
_chemical_formula_sum   'Ba2 Y4 Ge2'
_cell_volume   301.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.96  1.0
  Y  Y1  2  -0.0  0.0  0.52  1.0
  Y  Y2  2  -0.0  0.0  0.4  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Ba Y Y Ge