data_LaFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.72
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Ge
_chemical_formula_sum   'La1 Fe2 Ge1'
_cell_volume   67.42
_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  0.93  0.0  0.07  1.0
  Fe  Fe0  1  0.94  0.86  0.09  1.0
  Fe  Fe1  1  0.93  0.86  0.05  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_LaFe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.72
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Ge
_chemical_formula_sum   'La1 Fe2 Ge1'
_cell_volume   67.42
_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  0.93  0.0  0.07  1.0
  Fe  Fe1  1  0.93  0.86  0.05  1.0
  Fe  Fe2  1  0.94  0.86  0.09  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

La Fe Fe Ge