data_La2GeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.41
_cell_angle_alpha   107.11
_cell_angle_beta   107.11
_cell_angle_gamma   59.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GeB
_chemical_formula_sum   'La2 Ge1 B1'
_cell_volume   106.44
_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
  La  La2  1  0.82  0.0  0.49  1.0
  La  La3  1  0.94  0.0  0.48  1.0
  Ge  Ge1  1  0.38  0.0  0.49  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_La2GeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.37
_cell_angle_alpha   74.08
_cell_angle_beta   73.45
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GeB
_chemical_formula_sum   'La2 Ge1 B1'
_cell_volume   106.44
_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
  La  La0  1  0.0  0.33  0.49  1.0
  La  La1  1  0.0  0.46  0.48  1.0
  Ge  Ge2  1  0.0  0.89  0.49  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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