data_LaCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   142.33
_cell_angle_beta   141.12
_cell_angle_gamma   55.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuGe2
_chemical_formula_sum   'La1 Cu1 Ge2'
_cell_volume   86.53
_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  0.97  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.69  1.0
  Ge  Ge1  1  0.97  0.0  0.87  1.0
  Ge  Ge2  1  0.0  0.0  0.62  1.0

data_LaCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.06
_cell_length_c   6.1
_cell_angle_alpha   109.44
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuGe2
_chemical_formula_sum   'La1 Cu1 Ge2'
_cell_volume   86.53
_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  0.04  0.07  1.0
  Cu  Cu1  1  0.0  0.69  0.69  1.0
  Ge  Ge2  1  0.0  0.62  0.62  1.0
  Ge  Ge3  1  0.0  0.87  0.9  1.0

La Cu Ge Ge