data_La2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   144.86
_cell_angle_beta   129.46
_cell_angle_gamma   63.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaGe
_chemical_formula_sum   'La2 Ga1 Ge1'
_cell_volume   117.21
_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  0.94  0.0  0.74  1.0
  La  La3  1  0.0  0.75  0.74  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.49  1.0

data_La2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.5
_cell_length_c   6.44
_cell_angle_alpha   115.27
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaGe
_chemical_formula_sum   'La2 Ga1 Ge1'
_cell_volume   117.21
_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  0.74  0.8  1.0
  La  La1  1  0.25  1.0  1.0  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.49  0.49  1.0

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