data_Na2LaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.56
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaCu
_chemical_formula_sum   'Na2 La1 Cu1'
_cell_volume   109.91
_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  0.0  1.0
  Na  Na3  1  0.99  0.28  0.0  1.0
  La  La1  1  0.0  0.28  0.03  1.0
  Cu  Cu0  1  0.99  0.0  0.03  1.0

data_Na2LaCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.56
_cell_length_b   3.98
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2LaCu
_chemical_formula_sum   'Na2 La1 Cu1'
_cell_volume   109.91
_cell_formula_units_Z   1
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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.28  0.0  0.0  1.0
  La  La2  1  0.28  0.0  0.03  1.0
  Cu  Cu3  1  0.0  0.0  0.03  1.0

Na Na La Cu
Na Na La Cu 0 3 - o o 1 2 + o o 