data_NaLi2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   146.1
_cell_angle_beta   130.56
_cell_angle_gamma   61.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Cu
_chemical_formula_sum   'Na1 Li2 Cu1'
_cell_volume   77.99
_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  0.09  1.0
  Li  Li1  1  0.0  0.0  0.51  1.0
  Li  Li2  1  0.66  0.0  0.39  1.0
  Cu  Cu0  1  0.0  0.39  0.64  1.0

data_NaLi2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.77
_cell_length_c   5.71
_cell_angle_alpha   114.72
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Cu
_chemical_formula_sum   'Na1 Li2 Cu1'
_cell_volume   77.99
_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  0.91  0.91  0.91  1.0
  Li  Li1  1  0.27  0.61  0.27  1.0
  Li  Li2  1  0.49  0.49  0.49  1.0
  Cu  Cu3  1  0.36  0.74  0.74  1.0

Na Li Li Cu