data_LaNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Ge
_chemical_formula_sum   'La1 Nb2 Ge1'
_cell_volume   87.18
_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  La1  1  0.0  0.0  0.45  1.0
  Nb  Nb2  1  0.78  0.78  0.7  1.0
  Nb  Nb3  1  0.78  0.78  0.2  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_LaNb2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2Ge
_chemical_formula_sum   'La2 Nb4 Ge2'
_cell_volume   174.36
_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
  La  La0  2  0.0  0.0  0.45  1.0
  Nb  Nb1  2  0.28  0.5  0.2  1.0
  Nb  Nb2  2  0.28  0.5  0.7  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

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