data_InCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   154.26
_cell_angle_beta   154.26
_cell_angle_gamma   36.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2
_chemical_formula_sum   'In2 Cu4'
_cell_volume   97.68
_cell_formula_units_Z   2
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
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.0  0.79  0.81  1.0
  Cu  Cu0  1  0.0  0.0  0.45  1.0
  Cu  Cu1  1  0.79  0.0  0.98  1.0
  Cu  Cu2  1  0.0  0.0  0.8  1.0
  Cu  Cu3  1  0.79  0.0  0.64  1.0

data_InCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   8.03
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2
_chemical_formula_sum   'In2 Cu4'
_cell_volume   97.68
_cell_formula_units_Z   2
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
  In  In0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.98  0.79  0.98  1.0
  Cu  Cu2  1  0.02  0.0  0.8  1.0
  Cu  Cu3  1  0.2  0.0  0.2  1.0
  Cu  Cu4  1  0.36  0.0  0.15  1.0
  Cu  Cu5  1  0.55  0.0  0.55  1.0

In In Cu Cu Cu Cu
In In Cu Cu Cu Cu 0 1 o - - 0 3 - o - 1 3 - + o 2 3 - o - 2 4 o o o 4 5 - o o 