data_NaLaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.22
_cell_angle_alpha   105.08
_cell_angle_beta   105.08
_cell_angle_gamma   56.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCu2
_chemical_formula_sum   'Na1 La1 Cu2'
_cell_volume   106.5
_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  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.73  0.0  0.45  1.0
  Cu  Cu0  1  0.18  0.0  0.69  1.0
  Cu  Cu1  1  0.28  0.0  0.2  1.0

data_NaLaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.31
_cell_length_c   7.22
_cell_angle_alpha   105.08
_cell_angle_beta   90.0
_cell_angle_gamma   118.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCu2
_chemical_formula_sum   'Na1 La1 Cu2'
_cell_volume   106.5
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.27  0.55  1.0
  Cu  Cu2  1  0.0  0.72  0.8  1.0
  Cu  Cu3  1  0.0  0.82  0.31  1.0

Na La Cu Cu