data_BaLa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   132.38
_cell_angle_beta   132.38
_cell_angle_gamma   69.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ge
_chemical_formula_sum   'Ba1 La2 Ge1'
_cell_volume   126.92
_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  0.08  1.0
  La  La2  1  0.0  0.5  0.54  1.0
  La  La3  1  0.5  0.0  0.54  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_BaLa2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   124.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLa2Ge
_chemical_formula_sum   'Ba2 La4 Ge2'
_cell_volume   253.85
_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  0.08  1.0
  La  La1  4  0.25  0.25  0.04  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

Ba La La Ge
Ba La La Ge 0 3 o o o 0 1 o - - 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o + + 1 3 o o o 2 3 o o o 2 3 + o + 