data_NaInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   3.95
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInCu2
_chemical_formula_sum   'Na1 In1 Cu2'
_cell_volume   75.11
_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
  In  In2  1  0.0  0.0  0.28  1.0
  Cu  Cu0  1  0.45  0.97  0.94  1.0
  Cu  Cu1  1  0.45  0.97  0.61  1.0

data_NaInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.95
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInCu2
_chemical_formula_sum   'Na1 In1 Cu2'
_cell_volume   75.11
_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
  In  In1  1  0.0  0.0  0.28  1.0
  Cu  Cu2  1  0.45  0.97  0.61  1.0
  Cu  Cu3  1  0.45  0.97  0.94  1.0

Na In Cu Cu
Na In Cu Cu 0 2 - - - 0 2 o - - 0 1 o o o 1 3 o - o 1 3 - - o 2 3 o o o 