data_La2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.85
_cell_angle_alpha   104.33
_cell_angle_beta   104.33
_cell_angle_gamma   41.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiGe
_chemical_formula_sum   'La2 Ni1 Ge1'
_cell_volume   94.13
_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  0.06  0.0  0.11  1.0
  La  La2  1  0.5  0.0  0.34  1.0
  Ni  Ni3  1  0.55  0.0  0.38  1.0
  Ge  Ge0  1  0.51  0.0  0.18  1.0

data_La2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.85
_cell_length_c   5.53
_cell_angle_alpha   104.33
_cell_angle_beta   110.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiGe
_chemical_formula_sum   'La2 Ni1 Ge1'
_cell_volume   94.13
_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  0.11  0.06  1.0
  La  La1  1  0.0  0.34  0.5  1.0
  Ni  Ni2  1  0.0  0.38  0.55  1.0
  Ge  Ge3  1  0.0  0.18  0.51  1.0

La La Ni Ge