data_LaCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuGe2
_chemical_formula_sum   'La2 Cu2 Ge4'
_cell_volume   163.56
_cell_formula_units_Z   2
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  0.21  0.18  0.07  1.0
  La  La1  1  0.21  0.82  0.22  1.0
  Cu  Cu2  1  0.21  0.9  0.07  1.0
  Cu  Cu3  1  0.21  0.1  0.22  1.0
  Ge  Ge4  1  0.21  0.32  0.07  1.0
  Ge  Ge5  1  0.21  0.68  0.22  1.0
  Ge  Ge6  1  0.21  0.35  0.07  1.0
  Ge  Ge7  1  0.21  0.65  0.22  1.0

data_LaCuGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   4.41
_cell_length_c   8.92
_cell_angle_alpha   104.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaCuGe2
_chemical_formula_sum   'La2 Cu2 Ge4'
_cell_volume   163.56
_cell_formula_units_Z   2
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  2  0.07  0.18  0.18  1.0
  Cu  Cu1  2  0.07  0.9  0.9  1.0
  Ge  Ge2  2  0.07  0.32  0.32  1.0
  Ge  Ge3  2  0.07  0.35  0.35  1.0

La La Cu Cu Ge Ge Ge Ge
La La Cu Cu Ge Ge Ge Ge 0 3 o o o 1 2 o o o 4 6 o o o 5 7 o o o 