data_LaCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   3.08
_cell_angle_alpha   103.39
_cell_angle_beta   103.39
_cell_angle_gamma   112.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Ge
_chemical_formula_sum   'La1 Cu2 Ge1'
_cell_volume   79.1
_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  0.07  0.0  0.0  1.0
  Cu  Cu0  1  0.89  0.7  0.4  1.0
  Cu  Cu1  1  0.89  0.3  0.4  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_LaCu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   112.63
_cell_angle_beta   103.39
_cell_angle_gamma   103.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Ge
_chemical_formula_sum   'La1 Cu2 Ge1'
_cell_volume   79.1
_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  0.07  0.0  1.0
  Cu  Cu1  1  0.4  0.89  0.7  1.0
  Cu  Cu2  1  0.4  0.89  0.3  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

La Cu Cu Ge