data_La2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.23
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaGe
_chemical_formula_sum   'La2 Ga1 Ge1'
_cell_volume   108.64
_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  0.2  0.0  0.52  1.0
  La  La3  1  0.76  0.12  0.84  1.0
  Ga  Ga0  1  0.93  0.0  0.01  1.0
  Ge  Ge1  1  0.02  0.12  0.36  1.0

data_La2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.41
_cell_length_c   6.18
_cell_angle_alpha   109.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaGe
_chemical_formula_sum   'La2 Ga1 Ge1'
_cell_volume   108.64
_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  0.8  0.48  1.0
  La  La1  1  0.88  0.24  0.16  1.0
  Ga  Ga2  1  0.0  0.07  0.99  1.0
  Ge  Ge3  1  0.88  0.98  0.64  1.0

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