data_LaNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Ge
_chemical_formula_sum   'La1 Ni2 Ge1'
_cell_volume   68.74
_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  0.23  0.0  0.48  1.0
  Ni  Ni2  1  0.0  0.0  0.31  1.0
  Ni  Ni3  1  0.23  0.0  0.99  1.0
  Ge  Ge0  1  0.0  0.0  0.91  1.0

data_LaNi2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaNi2Ge
_chemical_formula_sum   'La1 Ni2 Ge1'
_cell_volume   68.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.23  0.0  0.48  1.0
  Ni  Ni1  1  0.0  0.0  0.31  1.0
  Ni  Ni2  1  0.23  0.0  0.99  1.0
  Ge  Ge3  1  0.0  0.0  0.91  1.0

La Ni Ni Ge