data_LaGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.19
_cell_angle_alpha   100.53
_cell_angle_beta   100.53
_cell_angle_gamma   117.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ge
_chemical_formula_sum   'La1 Ga2 Ge1'
_cell_volume   91.89
_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  La3  1  0.05  0.0  0.0  1.0
  Ga  Ga0  1  0.96  0.47  0.49  1.0
  Ga  Ga1  1  0.96  0.53  0.49  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_LaGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.79
_cell_length_c   5.91
_cell_angle_alpha   116.23
_cell_angle_beta   100.53
_cell_angle_gamma   100.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ge
_chemical_formula_sum   'La1 Ga2 Ge1'
_cell_volume   91.89
_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  0.0  0.05  1.0
  Ga  Ga1  1  0.02  0.53  0.49  1.0
  Ga  Ga2  1  0.96  0.47  0.43  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

La Ga Ga Ge