data_NaLaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCu
_chemical_formula_sum   'Na1 La1 Cu1'
_cell_volume   76.09
_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
  Na  Na2  1  0.0  0.0  0.86  1.0
  La  La1  1  0.51  0.45  0.16  1.0
  Cu  Cu0  1  1.0  0.9  0.92  1.0

data_NaLaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCu
_chemical_formula_sum   'Na1 La1 Cu1'
_cell_volume   76.09
_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
  Na  Na0  1  0.86  0.0  0.0  1.0
  La  La1  1  0.16  0.51  0.45  1.0
  Cu  Cu2  1  0.92  1.0  0.9  1.0

Na La Cu
Na La Cu 0 2 - - o 0 1 o o + 0 1 - - + 1 2 - - - 1 2 o o - 